C657-0029 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0029 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0029 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0029
1-(3-chloro-2-methylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]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

C657-0029

Molecular Formula

C19H20ClN3S (C19 H20 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(Nc2cccc(Cl)c2C)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C19H20ClN3S/c1-12-16(20)7-5-9-17(12)23-19(24)21-11-10-14-13(2)22-18-8-4-3-6-15(14)18/h3-9,22H,10-11H2,1-2H3,(H2,21,23,24)

InChI Key

DIIAKZGQOLADQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.91

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

4.836

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.94

Polar Surface Area

29.453

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C657-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0029?
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What is the minimum amount of C657-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0029
  • 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 C657-0029 available by request