S035-1317 Screening compound: N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

S035-1317 Screening compound: N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
S035-1317 Screening compound: N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-1317
N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

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

S035-1317

Molecular Formula

C18H19FN2O3S2 (C18 H19 FN2 O3 S2)

Compound Name

N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

IUPAC name

N-[(1S4S5S)-2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

SMILES

Cc(ccc(C(N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1cccs1)(=O)=O)=O)c1)c1F

InChI

InChI=1S/C18H19FN2O3S2/c1-11-4-5-12(8-15(11)19)18(22)21-10-13-7-14(21)9-16(13)20-26(23,24)17-3-2-6-25-17/h2-6,8,13-14,16,20H,7,9-10H2,1H3/t13-,14-,16-/m0/s1

InChI Key

VVOQJVJCRIKENP-DZKIICNBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.36

Polar Surface Area

59.852

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

S035-1317 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 S035-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-1317?
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What is the minimum amount of S035-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-1317
  • 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 S035-1317 available by request