C657-0012 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea

C657-0012 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea
C657-0012 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0012
3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea

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

C657-0012

Molecular Formula

C19H21N3S (C19 H21 N3 S)

Compound Name

3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea

IUPAC name

3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)thiourea

SMILES

Cc1c(CCNC(Nc2ccc(C)cc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C19H21N3S/c1-13-7-9-15(10-8-13)22-19(23)20-12-11-16-14(2)21-18-6-4-3-5-17(16)18/h3-10,21H,11-12H2,1-2H3,(H2,20,22,23)

InChI Key

HSCXSCXUJMFHGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.29

Polar Surface Area

30.151

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C657-0012 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C657-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0012?
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What is the minimum amount of C657-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0012
  • 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 C657-0012 available by request