8014-9490 Screening compound: 2-chloro-N~1~-[(Z)-2-(4-chlorophenyl)-1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1-ethenyl]benzamide

8014-9490 Screening compound: 2-chloro-N~1~-[(Z)-2-(4-chlorophenyl)-1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1-ethenyl]benzamide
8014-9490 Screening compound: 2-chloro-N~1~-[(Z)-2-(4-chlorophenyl)-1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1-ethenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9490
2-chloro-N~1~-[(Z)-2-(4-chlorophenyl)-1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1-ethenyl]benzamide

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

8014-9490

Molecular Formula

C27H23Cl2N3O2 (C27 H23 Cl2 N3 O2)

Compound Name

2-chloro-N~1~-[(Z)-2-(4-chlorophenyl)-1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1-ethenyl]benzamide

IUPAC name

(2Z)-3-(4-chlorophenyl)-2-[(2-chlorophenyl)formamido]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

SMILES

Cc1c(CCNC(/C(/NC(c(cccc2)c2Cl)=O)=C/c(cc2)ccc2Cl)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C27H23Cl2N3O2/c1-17-20(21-6-3-5-9-24(21)31-17)14-15-30-27(34)25(16-18-10-12-19(28)13-11-18)32-26(33)22-7-2-4-8-23(22)29/h2-13,16,31H,14-15H2,1H3,(H,30,34)(H,32,33)

InChI Key

JMFHJSPCNBQIPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-5.89

Polar Surface Area

56.344

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8014-9490 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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 8014-9490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9490?
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What is the minimum amount of 8014-9490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9490
  • 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 8014-9490 available by request