S032-1829 Screening compound: N-[2-(4-methoxy-2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

S032-1829 Screening compound: N-[2-(4-methoxy-2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
S032-1829 Screening compound: N-[2-(4-methoxy-2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1829
N-[2-(4-methoxy-2-methylbenzoyl)-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

S032-1829

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N-[2-(4-methoxy-2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

IUPAC name

N-[(1R4R6S)-2-(4-methoxy-2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

SMILES

Cc(cc(cc1)OC)c1C(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1cccs1)=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-12-8-14(25-2)5-6-15(12)20(24)22-11-13-9-16(17(22)10-13)21-19(23)18-4-3-7-26-18/h3-8,13,16-17H,9-11H2,1-2H3,(H,21,23)/t13-,16+,17-/m0/s1

InChI Key

ULVXLSXJQCMTKI-XKQJLSEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.66

Polar Surface Area

49.661

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

S032-1829 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S032-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1829?
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What is the minimum amount of S032-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1829
  • 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 S032-1829 available by request