C301-6918 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea

C301-6918 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea
C301-6918 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6918
3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea

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

C301-6918

Molecular Formula

C26H28F3N3OS (C26 H28 F3 N3 OS)

Compound Name

3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-[4-(4-cyclohexylphenyl)-13-thiazol-2-yl]-3-propyl-1-[2-(trifluoromethyl)phenyl]urea

SMILES

CCCN(C(Nc1c(C(F)(F)F)cccc1)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C26H28F3N3OS/c1-2-16-32(24(33)30-22-11-7-6-10-21(22)26(27,28)29)25-31-23(17-34-25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h6-7,10-15,17-18H,2-5,8-9,16H2,1H3,(H,30,33)

InChI Key

GUUNUDCIQHWNRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.163

Distribution Coefficient, logD

9.163

Water Solubility, LogSw

-5.72

Polar Surface Area

33.432

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C301-6918 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-6918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6918?
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What is the minimum amount of C301-6918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6918
  • 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 C301-6918 available by request