C800-0036 Screening compound: 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid

C800-0036 Screening compound: 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid
C800-0036 Screening compound: 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0036
1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-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

C800-0036

Molecular Formula

C17H12ClNO3 (C17 H12 ClNO3)

Compound Name

1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid

SMILES

OC(c1c(C=O)c(cccc2)c2n1Cc(cccc1)c1Cl)=O

InChI

InChI=1S/C17H12ClNO3/c18-14-7-3-1-5-11(14)9-19-15-8-4-2-6-12(15)13(10-20)16(19)17(21)22/h1-8,10H,9H2,(H,21,22)

InChI Key

VWSSAQDJEZVXTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

-0.557

Water Solubility, LogSw

-3.35

Polar Surface Area

43.036

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C800-0036 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C800-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0036?
Check Price and Availability of C800-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C800-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0036
  • 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 C800-0036 available by request