C657-0026 Screening compound: 1-(2-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0026 Screening compound: 1-(2-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0026 Screening compound: 1-(2-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0026
1-(2-chlorophenyl)-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

C657-0026

Molecular Formula

C18H18ClN3S (C18 H18 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(Nc(cccc2)c2Cl)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C18H18ClN3S/c1-12-13(14-6-2-4-8-16(14)21-12)10-11-20-18(23)22-17-9-5-3-7-15(17)19/h2-9,21H,10-11H2,1H3,(H2,20,22,23)

InChI Key

XJPWLKBVCANXTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.88

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

4.079

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.06

Polar Surface Area

29.453

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C657-0026 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C657-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0026?
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What is the minimum amount of C657-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0026
  • 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 C657-0026 available by request