8014-0233 Screening compound: methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate

8014-0233 Screening compound: methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate
8014-0233 Screening compound: methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0233
methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate

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

8014-0233

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate

IUPAC name

methyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate

SMILES

Cc1c(C=O)c(cccc2)c2n1CC(OC)=O

InChI

InChI=1S/C13H13NO3/c1-9-11(8-15)10-5-3-4-6-12(10)14(9)7-13(16)17-2/h3-6,8H,7H2,1-2H3

InChI Key

GLTOPUVGYLBJTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.841

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.20

Polar Surface Area

36.449

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8014-0233 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 8014-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0233?
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What is the minimum amount of 8014-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0233
  • 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 8014-0233 available by request