D011-5176 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole

D011-5176 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
D011-5176 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5176
1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-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

D011-5176

Molecular Formula

C18H12ClFN2S (C18 H12 ClFN2 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-2-(thiophen-2-yl)-1H-13-benzodiazole

SMILES

Fc1cccc(Cl)c1Cn1c(-c2cccs2)nc2c1cccc2

InChI

InChI=1S/C18H12ClFN2S/c19-13-5-3-6-14(20)12(13)11-22-16-8-2-1-7-15(16)21-18(22)17-9-4-10-23-17/h1-10H,11H2

InChI Key

HOVWPAFBOUGUBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-6.23

Polar Surface Area

10.914

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D011-5176 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D011-5176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5176?
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What is the minimum amount of D011-5176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5176
  • 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 D011-5176 available by request