C388-0696 Screening compound: 1-cycloheptyl-3-(2,4-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

C388-0696 Screening compound: 1-cycloheptyl-3-(2,4-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]thiourea
C388-0696 Screening compound: 1-cycloheptyl-3-(2,4-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C388-0696
1-cycloheptyl-3-(2,4-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]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

C388-0696

Molecular Formula

C27H35N3S (C27 H35 N3 S)

Compound Name

1-cycloheptyl-3-(2,4-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

IUPAC name

1-cycloheptyl-3-(24-dimethylphenyl)-1-[(1-ethyl-1H-indol-3-yl)methyl]thiourea

SMILES

CCn1c(cccc2)c2c(CN(C2CCCCCC2)C(Nc2c(C)cc(C)cc2)=S)c1

InChI

InChI=1S/C27H35N3S/c1-4-29-18-22(24-13-9-10-14-26(24)29)19-30(23-11-7-5-6-8-12-23)27(31)28-25-16-15-20(2)17-21(25)3/h9-10,13-18,23H,4-8,11-12,19H2,1-3H3,(H,28,31)

InChI Key

CQTMUPRTMULDDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.66

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.564

Distribution Coefficient, logD

7.564

Water Solubility, LogSw

-5.79

Polar Surface Area

11.034

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C388-0696 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C388-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C388-0696?
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What is the minimum amount of C388-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C388-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C388-0696
  • 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 C388-0696 available by request