S032-1873 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}thiophene-2-carboxamide

S032-1873 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}thiophene-2-carboxamide
S032-1873 Screening compound: N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1873
N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}thiophene-2-carboxamide

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

S032-1873

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

N-{2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl}thiophene-2-carboxamide

IUPAC name

N-[(1R4R6S)-2-[3-(2-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

SMILES

COc1c(CCC(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NC(c2cccs2)=O)=O)cccc1

InChI

InChI=1S/C21H24N2O3S/c1-26-18-6-3-2-5-15(18)8-9-20(24)23-13-14-11-16(17(23)12-14)22-21(25)19-7-4-10-27-19/h2-7,10,14,16-17H,8-9,11-13H2,1H3,(H,22,25)/t14-,16-,17-/m0/s1

InChI Key

VXBIDJGKDGUWCX-XIRDDKMYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.384

Water Solubility, LogSw

-3.76

Polar Surface Area

49.220

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

S032-1873 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 S032-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1873?
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What is the minimum amount of S032-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1873
  • 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 S032-1873 available by request