C301-6845 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)-3-propylurea

C301-6845 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)-3-propylurea
C301-6845 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6845
3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(3,4-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

C301-6845

Molecular Formula

C27H33N3OS (C27 H33 N3 OS)

Compound Name

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

IUPAC name

3-[4-(4-cyclohexylphenyl)-13-thiazol-2-yl]-1-(34-dimethylphenyl)-3-propylurea

SMILES

CCCN(C(Nc1cc(C)c(C)cc1)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

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

InChI Key

GPNJYBVVBBRQPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129456

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

9.239

Distribution Coefficient, logD

9.239

Water Solubility, LogSw

-5.56

Polar Surface Area

34.130

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C301-6845 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

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:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6845?
Check Price and Availability of C301-6845, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-6845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6845
  • 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 C301-6845 available by request