SA90-0247 Screening compound: 2-{1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide

SA90-0247 Screening compound: 2-{1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
SA90-0247 Screening compound: 2-{1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0247
2-{1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide

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

SA90-0247

Molecular Formula

C25H30N6O3 (C25 H30 N6 O3)

Compound Name

2-{1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide

IUPAC name

2-[1'-(1-methyl-1H-imidazole-5-carbonyl)-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide

SMILES

Cn1c(C(N(CC2)CCC22OC(CC(NCc3cn(C)nc3)=O)Cc3c2cccc3)=O)cnc1

InChI

InChI=1S/C25H30N6O3/c1-29-17-26-15-22(29)24(33)31-9-7-25(8-10-31)21-6-4-3-5-19(21)11-20(34-25)12-23(32)27-13-18-14-28-30(2)16-18/h3-6,14-17,20H,7-13H2,1-2H3,(H,27,32)/t20-/m1/s1

InChI Key

PECCQOLUQQJMNG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32242049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.446

Distribution Coefficient, logD

0.410

Water Solubility, LogSw

-1.79

Polar Surface Area

73.446

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

SA90-0247 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA90-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0247?
Check Price and Availability of SA90-0247, 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 SA90-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0247
  • 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 SA90-0247 available by request