8012-4313 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole

8012-4313 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole
8012-4313 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4313
1-[(2,4-dichlorophenyl)methyl]-2-(1,3-thiazol-5-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

8012-4313

Molecular Formula

C17H11Cl2N3S (C17 H11 Cl2 N3 S)

Compound Name

1-[(2,4-dichlorophenyl)methyl]-2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole

IUPAC name

1-[(24-dichlorophenyl)methyl]-2-(13-thiazol-5-yl)-1H-13-benzodiazole

SMILES

Clc1cc(Cl)c(Cn2c(-c3cncs3)nc3c2cccc3)cc1

InChI

InChI=1S/C17H11Cl2N3S/c18-12-6-5-11(13(19)7-12)9-22-15-4-2-1-3-14(15)21-17(22)16-8-20-10-23-16/h1-8,10H,9H2

InChI Key

VGBRCTUPMIKTGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.27

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

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-6.14

Polar Surface Area

19.994

Acid Dissociation Constant (pKa)

21.03

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8012-4313 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4313?
Check Price and Availability of 8012-4313, 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 8012-4313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4313
  • 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 8012-4313 available by request