C657-0156 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0156 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0156 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0156
1-(3,5-dimethylphenyl)-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

C657-0156

Molecular Formula

C21H25N3OS (C21 H25 N3 OS)

Compound Name

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

IUPAC name

1-(35-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

SMILES

Cc1c(CCNC(Nc2cc(C)cc(C)c2)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C21H25N3OS/c1-13-9-14(2)11-16(10-13)24-21(26)22-8-7-18-15(3)23-20-6-5-17(25-4)12-19(18)20/h5-6,9-12,23H,7-8H2,1-4H3,(H2,22,24,26)

InChI Key

RHVFWXUHTIXPGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.52

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

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.42

Polar Surface Area

37.694

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C657-0156 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 C657-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0156?
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What is the minimum amount of C657-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0156
  • 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 C657-0156 available by request