S032-1011 Screening compound: N-{2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

S032-1011 Screening compound: N-{2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide
S032-1011 Screening compound: N-{2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1011
N-{2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

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

S032-1011

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

N-{2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}benzamide

IUPAC name

N-[(1R4R6S)-2-[2-(2-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

SMILES

COc1cc(Cl)c(CC(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NC(c2ccccc2)=O)=O)cc1

InChI

InChI=1S/C22H23ClN2O3/c1-28-17-8-7-16(18(23)12-17)11-21(26)25-13-14-9-19(20(25)10-14)24-22(27)15-5-3-2-4-6-15/h2-8,12,14,19-20H,9-11,13H2,1H3,(H,24,27)/t14-,19+,20-/m0/s1

InChI Key

WTLHUYDUQOAUMI-KPOBHBOGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.39

Polar Surface Area

48.115

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.40

S032-1011 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S032-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1011?
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What is the minimum amount of S032-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1011
  • 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 S032-1011 available by request