SA91-0160 Screening compound: 3-[({[1'-(cyclobutylcarbonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-5-yl]carbonyl}amino)methyl]benzoic acid

SA91-0160 Screening compound: 3-[({[1'-(cyclobutylcarbonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-5-yl]carbonyl}amino)methyl]benzoic acid
SA91-0160 Screening compound: 3-[({[1'-(cyclobutylcarbonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-5-yl]carbonyl}amino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound SA91-0160
3-[({[1'-(cyclobutylcarbonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-5-yl]carbonyl}amino)methyl]benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SA91-0160

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

3-[({[1'-(cyclobutylcarbonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-5-yl]carbonyl}amino)methyl]benzoic acid

IUPAC name

3-[({1'-cyclobutanecarbonyl-1-methyl-2-oxo-12-dihydrospiro[indole-34'-piperidin]-5-yl}formamido)methyl]benzoic acid

SMILES

CN(C(C1(CC2)CCN2C(C2CCC2)=O)=O)c(cc2)c1cc2C(NCc1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C27H29N3O5/c1-29-22-9-8-19(23(31)28-16-17-4-2-7-20(14-17)25(33)34)15-21(22)27(26(29)35)10-12-30(13-11-27)24(32)18-5-3-6-18/h2,4,7-9,14-15,18H,3,5-6,10-13,16H2,1H3,(H,28,31)(H,33,34)

InChI Key

CUOCVCCUCRQRLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32242312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

-1.337

Water Solubility, LogSw

-2.58

Polar Surface Area

85.466

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

SA91-0160 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SA91-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA91-0160?
Check Price and Availability of SA91-0160, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA91-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA91-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA91-0160
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SA91-0160 available by request