8009-5039 Screening compound: 3-{2,4-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

8009-5039 Screening compound: 3-{2,4-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid
8009-5039 Screening compound: 3-{2,4-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5039
3-{2,4-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}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

8009-5039

Molecular Formula

C21H15Cl2N3O7S (C21 H15 Cl2 N3 O7 S)

Compound Name

3-{2,4-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

IUPAC name

3-{24-dichloro-5-[(2-methyl-5-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

SMILES

Cc(ccc([N+]([O-])=O)c1)c1NC(c(c(Cl)c1)cc(S(Nc2cc(C(O)=O)ccc2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C21H15Cl2N3O7S/c1-11-5-6-14(26(30)31)8-18(11)24-20(27)15-9-19(17(23)10-16(15)22)34(32,33)25-13-4-2-3-12(7-13)21(28)29/h2-10,25H,1H3,(H,24,27)(H,28,29)

InChI Key

OOFPEJIPRSQRAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.34

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-4.95

Polar Surface Area

125.071

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8009-5039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5039?
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What is the minimum amount of 8009-5039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5039
  • 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 8009-5039 available by request