C657-0169 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0169 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0169 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0169
1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-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

C657-0169

Molecular Formula

C20H22ClN3OS (C20 H22 ClN3 OS)

Compound Name

1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

IUPAC name

1-(3-chloro-2-methylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

SMILES

Cc1c(CCNC(Nc2cccc(Cl)c2C)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C20H22ClN3OS/c1-12-17(21)5-4-6-18(12)24-20(26)22-10-9-15-13(2)23-19-8-7-14(25-3)11-16(15)19/h4-8,11,23H,9-10H2,1-3H3,(H2,22,24,26)

InChI Key

UDODANZMZYLRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.30

Polar Surface Area

36.997

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C657-0169 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C657-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0169?
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What is the minimum amount of C657-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0169
  • 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 C657-0169 available by request