4358-0473 Screening compound: 2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

4358-0473 Screening compound: 2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
4358-0473 Screening compound: 2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-0473
2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic 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

4358-0473

Molecular Formula

C16H14FNO3S (C16 H14 FNO3 S)

Compound Name

2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

IUPAC name

2-(2-fluorobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

OC(c1c(NC(c(cccc2)c2F)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)

InChI Key

BEBKZRVTISOKIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01464821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

-0.608

Water Solubility, LogSw

-3.93

Polar Surface Area

51.453

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4358-0473 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4358-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-0473?
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What is the minimum amount of 4358-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-0473
  • 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 4358-0473 available by request