4035-0027 Screening compound: 2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-1H-1,3-benzodiazole

4035-0027 Screening compound: 2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-1H-1,3-benzodiazole
4035-0027 Screening compound: 2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4035-0027
2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-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

4035-0027

Molecular Formula

C21H15ClN2 (C21 H15 ClN2)

Compound Name

2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-1H-1,3-benzodiazole

IUPAC name

2-[(1Z)-2-(4-chlorophenyl)-1-phenylethenyl]-1H-13-benzodiazole

SMILES

Clc1ccc(/C=C(\c2nc(cccc3)c3[nH]2)/c2ccccc2)cc1

InChI

InChI=1S/C21H15ClN2/c22-17-12-10-15(11-13-17)14-18(16-6-2-1-3-7-16)21-23-19-8-4-5-9-20(19)24-21/h1-14H,(H,23,24)

InChI Key

ASPBKDFUVXARPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.82

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.821

Water Solubility, LogSw

-6.52

Polar Surface Area

18.986

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4035-0027 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4035-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4035-0027?
Check Price and Availability of 4035-0027, 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 4035-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4035-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4035-0027
  • 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 4035-0027 available by request