8015-0538 Screening compound: 1-[(2-bromophenyl)methyl]-2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole

8015-0538 Screening compound: 1-[(2-bromophenyl)methyl]-2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole
8015-0538 Screening compound: 1-[(2-bromophenyl)methyl]-2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0538
1-[(2-bromophenyl)methyl]-2-(1,3-thiazol-4-yl)-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

8015-0538

Molecular Formula

C17H12BrN3S (C17 H12 BrN3 S)

Compound Name

1-[(2-bromophenyl)methyl]-2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole

IUPAC name

1-[(2-bromophenyl)methyl]-2-(13-thiazol-4-yl)-1H-13-benzodiazole

SMILES

Brc1c(Cn2c(-c3cscn3)nc3c2cccc3)cccc1

InChI

InChI=1S/C17H12BrN3S/c18-13-6-2-1-5-12(13)9-21-16-8-4-3-7-14(16)20-17(21)15-10-22-11-19-15/h1-8,10-11H,9H2

InChI Key

FVJPKLSAOOKJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

5.045

Water Solubility, LogSw

-4.97

Polar Surface Area

19.524

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8015-0538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0538?
Check Price and Availability of 8015-0538, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0538
  • 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 8015-0538 available by request