8010-0525 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-1,3-benzodiazole

8010-0525 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-1,3-benzodiazole
8010-0525 Screening compound: 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0525
2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-1,3-benzodiazole

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

8010-0525

Molecular Formula

C15H11BrN4S (C15 H11 BrN4 S)

Compound Name

2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-1,3-benzodiazole

IUPAC name

2-{[(1H-13-benzodiazol-2-yl)methyl]sulfanyl}-6-bromo-1H-13-benzodiazole

SMILES

Brc(cc1)cc([nH]2)c1nc2SCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H11BrN4S/c16-9-5-6-12-13(7-9)20-15(19-12)21-8-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,19,20)

InChI Key

FTGCCEQFLCQIAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.39

Polar Surface Area

38.262

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8010-0525 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0525?
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What is the minimum amount of 8010-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0525
  • 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 8010-0525 available by request