8017-6319 Screening compound: 1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylic acid

8017-6319 Screening compound: 1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylic acid
8017-6319 Screening compound: 1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6319
1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylic 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

8017-6319

Molecular Formula

C16H11Cl2NO2 (C16 H11 Cl2 NO2)

Compound Name

1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylic acid

IUPAC name

1-[(34-dichlorophenyl)methyl]-1H-indole-3-carboxylic acid

SMILES

OC(c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2)=O

InChI

InChI=1S/C16H11Cl2NO2/c17-13-6-5-10(7-14(13)18)8-19-9-12(16(20)21)11-3-1-2-4-15(11)19/h1-7,9H,8H2,(H,20,21)

InChI Key

GHYGMTMWCWIMPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.53

Polar Surface Area

30.379

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8017-6319 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-6319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6319?
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What is the minimum amount of 8017-6319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6319
  • 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 8017-6319 available by request