F294-0339 Screening compound: 2-(azepan-1-yl)-5-(3,4-difluorobenzenesulfonamido)benzoic acid

F294-0339 Screening compound: 2-(azepan-1-yl)-5-(3,4-difluorobenzenesulfonamido)benzoic acid
F294-0339 Screening compound: 2-(azepan-1-yl)-5-(3,4-difluorobenzenesulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0339
2-(azepan-1-yl)-5-(3,4-difluorobenzenesulfonamido)benzoic acid

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

F294-0339

Molecular Formula

C19H20F2N2O4S (C19 H20 F2 N2 O4 S)

Compound Name

2-(azepan-1-yl)-5-(3,4-difluorobenzenesulfonamido)benzoic acid

IUPAC name

2-(azepan-1-yl)-5-(34-difluorobenzenesulfonamido)benzoic acid

SMILES

OC(c(cc(cc1)NS(c(cc2)cc(F)c2F)(=O)=O)c1N1CCCCCC1)=O

InChI

InChI=1S/C19H20F2N2O4S/c20-16-7-6-14(12-17(16)21)28(26,27)22-13-5-8-18(15(11-13)19(24)25)23-9-3-1-2-4-10-23/h5-8,11-12,22H,1-4,9-10H2,(H,24,25)

InChI Key

MAGRPCJHNICQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947856

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

410.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-4.16

Polar Surface Area

72.779

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F294-0339 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F294-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0339?
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What is the minimum amount of F294-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0339
  • 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 F294-0339 available by request