C800-0061 Screening compound: 3-formyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-indole-2-carboxylic acid

C800-0061 Screening compound: 3-formyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-indole-2-carboxylic acid
C800-0061 Screening compound: 3-formyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0061
3-formyl-1-[(2,4,6-trimethylphenyl)methyl]-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

C800-0061

Molecular Formula

C20H19NO3 (C20 H19 NO3)

Compound Name

3-formyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-formyl-1-[(246-trimethylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

Cc1cc(C)c(Cn2c(C(O)=O)c(C=O)c3c2cccc3)c(C)c1

InChI

InChI=1S/C20H19NO3/c1-12-8-13(2)16(14(3)9-12)10-21-18-7-5-4-6-15(18)17(11-22)19(21)20(23)24/h4-9,11H,10H2,1-3H3,(H,23,24)

InChI Key

HJQVVGHNUHBZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

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

4.390

Distribution Coefficient, logD

0.377

Water Solubility, LogSw

-4.24

Polar Surface Area

43.036

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C800-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C800-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0061?
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What is the minimum amount of C800-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0061
  • 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 C800-0061 available by request