8009-0446 Screening compound: 4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

8009-0446 Screening compound: 4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]benzoic acid
8009-0446 Screening compound: 4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0446
4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]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

8009-0446

Molecular Formula

C18H17FN2O6S (C18 H17 FN2 O6 S)

Compound Name

4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

IUPAC name

4-[4-fluoro-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

SMILES

OC(c(cc1)ccc1NC(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1F)=O)=O

InChI

InChI=1S/C18H17FN2O6S/c19-15-6-3-13(11-16(15)28(25,26)21-7-9-27-10-8-21)17(22)20-14-4-1-12(2-5-14)18(23)24/h1-6,11H,7-10H2,(H,20,22)(H,23,24)

InChI Key

GBVVOEOBNKJSNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

-0.213

Water Solubility, LogSw

-2.89

Polar Surface Area

91.357

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8009-0446 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8009-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0446?
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What is the minimum amount of 8009-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0446
  • 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 8009-0446 available by request