3428-1905 Screening compound: 2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonic acid

3428-1905 Screening compound: 2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonic acid
3428-1905 Screening compound: 2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3428-1905
2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonic 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

3428-1905

Molecular Formula

C13H9BrN2O3S (C13 H9 BrN2 O3 S)

Compound Name

2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonic acid

IUPAC name

2-(4-bromophenyl)-1H-13-benzodiazole-5-sulfonic acid

SMILES

OS(c(cc1)cc2c1[nH]c(-c(cc1)ccc1Br)n2)(=O)=O

InChI

InChI=1S/C13H9BrN2O3S/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(20(17,18)19)7-12(11)16-13/h1-7H,(H,15,16)(H,17,18,19)

InChI Key

BEIHTPRCQLCLLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927732

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

-12.453

Water Solubility, LogSw

-2.35

Polar Surface Area

61.672

Acid Dissociation Constant (pKa)

-3.06

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3428-1905 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3428-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3428-1905?
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What is the minimum amount of 3428-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3428-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3428-1905
  • 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 3428-1905 available by request