8019-8439 Screening compound: (2E)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid

8019-8439 Screening compound: (2E)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid
8019-8439 Screening compound: (2E)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8439
(2E)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid

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

8019-8439

Molecular Formula

C18H13Cl2NO2 (C18 H13 Cl2 NO2)

Compound Name

(2E)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid

IUPAC name

(2E)-3-{1-[(24-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enoic acid

SMILES

OC(/C=C/c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2)=O

InChI

InChI=1S/C18H13Cl2NO2/c19-14-7-5-13(16(20)9-14)11-21-10-12(6-8-18(22)23)15-3-1-2-4-17(15)21/h1-10H,11H2,(H,22,23)

InChI Key

KNOLHKLKYXNGRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-5.36

Polar Surface Area

30.354

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8019-8439 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-8439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8439?
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What is the minimum amount of 8019-8439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8439
  • 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 8019-8439 available by request