S610-0135 Screening compound: methyl 4-({1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate

S610-0135 Screening compound: methyl 4-({1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate
S610-0135 Screening compound: methyl 4-({1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S610-0135
methyl 4-({1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate

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

S610-0135

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

methyl 4-({1-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate

IUPAC name

methyl 4-({1-oxo-2-phenyl-27-diazaspiro[3.5]nonane-7-carbonyl}amino)benzoate

SMILES

COC(c(cc1)ccc1NC(N(CC1)CCC1(CN1c2ccccc2)C1=O)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-29-19(26)16-7-9-17(10-8-16)23-21(28)24-13-11-22(12-14-24)15-25(20(22)27)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,23,28)

InChI Key

OEJGKDUQXLNCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.49

Polar Surface Area

63.047

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S610-0135 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S610-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S610-0135?
Check Price and Availability of S610-0135, 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 S610-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S610-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S610-0135
  • 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 S610-0135 available by request