8010-2813 Screening compound: (2E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-3-{1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile

8010-2813 Screening compound: (2E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-3-{1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile
8010-2813 Screening compound: (2E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-3-{1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2813
(2E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-3-{1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile

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

8010-2813

Molecular Formula

C32H21Cl3N4 (C32 H21 Cl3 N4)

Compound Name

(2E)-2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-3-{1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile

IUPAC name

(2E)-2-{1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-3-{1-[(34-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2

InChI

InChI=1S/C32H21Cl3N4/c33-25-12-9-21(10-13-25)19-39-31-8-4-2-6-29(31)37-32(39)23(17-36)16-24-20-38(30-7-3-1-5-26(24)30)18-22-11-14-27(34)28(35)15-22/h1-16,20H,18-19H2

InChI Key

KPHORVVJVUARSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.9

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.023

Distribution Coefficient, logD

9.023

Water Solubility, LogSw

-7.00

Polar Surface Area

28.684

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8010-2813 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8010-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2813?
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What is the minimum amount of 8010-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2813
  • 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 8010-2813 available by request