8009-5046 Screening compound: 2-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

8009-5046 Screening compound: 2-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid
8009-5046 Screening compound: 2-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5046
2-[2,4-dichloro-5-(pyrrolidine-1-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

8009-5046

Molecular Formula

C18H16Cl2N2O5S (C18 H16 Cl2 N2 O5 S)

Compound Name

2-[2,4-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

IUPAC name

2-[24-dichloro-5-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid

SMILES

OC(c(cccc1)c1NC(c(c(Cl)c1)cc(S(N2CCCC2)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C18H16Cl2N2O5S/c19-13-10-14(20)16(28(26,27)22-7-3-4-8-22)9-12(13)17(23)21-15-6-2-1-5-11(15)18(24)25/h1-2,5-6,9-10H,3-4,7-8H2,(H,21,23)(H,24,25)

InChI Key

JKWCQTRLNOCYQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

-0.691

Water Solubility, LogSw

-4.41

Polar Surface Area

83.117

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8009-5046 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8009-5046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5046?
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What is the minimum amount of 8009-5046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5046
  • 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 8009-5046 available by request