8010-4551 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde

8010-4551 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde
8010-4551 Screening compound: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4551
1-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde

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

8010-4551

Molecular Formula

C17H13Cl2NO (C17 H13 Cl2 NO)

Compound Name

1-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde

IUPAC name

1-[(24-dichlorophenyl)methyl]-2-methyl-1H-indole-3-carbaldehyde

SMILES

Cc1c(C=O)c(cccc2)c2n1Cc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C17H13Cl2NO/c1-11-15(10-21)14-4-2-3-5-17(14)20(11)9-12-6-7-13(18)8-16(12)19/h2-8,10H,9H2,1H3

InChI Key

DOTYQLXITVZIGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.63

Polar Surface Area

15.598

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8010-4551 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8010-4551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4551?
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What is the minimum amount of 8010-4551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4551
  • 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 8010-4551 available by request