S034-2137 Screening compound: N-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

S034-2137 Screening compound: N-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
S034-2137 Screening compound: N-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-2137
N-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-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

S034-2137

Molecular Formula

C20H22N2O3S2 (C20 H22 N2 O3 S2)

Compound Name

N-[2-(2,3-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

IUPAC name

N-[(1S4S5S)-2-(23-dihydro-1H-indene-5-sulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)N[C@@H](C[C@@H]1C2)[C@@H]2CN1S(c1cc(CCC2)c2cc1)(=O)=O

InChI

InChI=1S/C20H22N2O3S2/c23-20(19-5-2-8-26-19)21-18-11-16-9-15(18)12-22(16)27(24,25)17-7-6-13-3-1-4-14(13)10-17/h2,5-8,10,15-16,18H,1,3-4,9,11-12H2,(H,21,23)/t15-,16-,18+/m0/s1

InChI Key

MWMJYAVHTNTYIA-XYJFISCASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.76

Polar Surface Area

58.420

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.00

S034-2137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

References: we are preparing a list of scientific research reports with S034-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-2137?
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What is the minimum amount of S034-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-2137
  • 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 S034-2137 available by request