C301-6847 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-propylurea

C301-6847 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-propylurea
C301-6847 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6847
3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-propylurea

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

C301-6847

Molecular Formula

C27H33N3OS (C27 H33 N3 OS)

Compound Name

3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-propylurea

IUPAC name

3-[4-(4-cyclohexylphenyl)-13-thiazol-2-yl]-1-(35-dimethylphenyl)-3-propylurea

SMILES

CCCN(C(Nc1cc(C)cc(C)c1)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C27H33N3OS/c1-4-14-30(26(31)28-24-16-19(2)15-20(3)17-24)27-29-25(18-32-27)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h10-13,15-18,21H,4-9,14H2,1-3H3,(H,28,31)

InChI Key

LQSVHNKQOYRZMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.944

Distribution Coefficient, logD

8.944

Water Solubility, LogSw

-5.61

Polar Surface Area

34.130

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C301-6847 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6847?
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What is the minimum amount of C301-6847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6847
  • 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 C301-6847 available by request