S032-1942 Screening compound: N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]hept-6-yl]-2-thiophenecarboxamide

S032-1942 Screening compound: N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]hept-6-yl]-2-thiophenecarboxamide
S032-1942 Screening compound: N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]hept-6-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1942
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]hept-6-yl]-2-thiophenecarboxamide

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

S032-1942

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]hept-6-yl]-2-thiophenecarboxamide

IUPAC name

N-[(1R4R6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

SMILES

Cc(cccc1)c1C(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1cccs1)=O)=O

InChI

InChI=1S/C19H20N2O2S/c1-12-5-2-3-6-14(12)19(23)21-11-13-9-15(16(21)10-13)20-18(22)17-7-4-8-24-17/h2-8,13,15-16H,9-11H2,1H3,(H,20,22)/t13-,15+,16-/m0/s1

InChI Key

WMUPHHKMTYSOCF-IMJJTQAJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.64

Polar Surface Area

42.117

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.84

S032-1942 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 S032-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1942?
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What is the minimum amount of S032-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1942
  • 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 S032-1942 available by request