8009-8598 Screening compound: 5-bromo-2-({2-[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid

8009-8598 Screening compound: 5-bromo-2-({2-[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid
8009-8598 Screening compound: 5-bromo-2-({2-[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8598
5-bromo-2-({2-[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)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

8009-8598

Molecular Formula

C16H12BrCl2NO3S (C16 H12 BrCl2 NO3 S)

Compound Name

5-bromo-2-({2-[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid

IUPAC name

5-bromo-2-(2-{[(24-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid

SMILES

OC(c(cc(cc1)Br)c1NC(CSCc(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C16H12BrCl2NO3S/c17-10-2-4-14(12(5-10)16(22)23)20-15(21)8-24-7-9-1-3-11(18)6-13(9)19/h1-6H,7-8H2,(H,20,21)(H,22,23)

InChI Key

XSXTYVLJSMXYDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

1.051

Water Solubility, LogSw

-5.59

Polar Surface Area

50.827

Acid Dissociation Constant (pKa)

2.86

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8009-8598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8598?
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What is the minimum amount of 8009-8598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8598
  • 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 8009-8598 available by request