C301-6849 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)-3-propylurea

C301-6849 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)-3-propylurea
C301-6849 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6849
3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)-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

C301-6849

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(Nc(cccc1)c1[N+]([O-])=O)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C25H28N4O3S/c1-2-16-28(24(30)26-21-10-6-7-11-23(21)29(31)32)25-27-22(17-33-25)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,26,30)

InChI Key

GNLVULJXYWXRLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.394

Distribution Coefficient, logD

8.394

Water Solubility, LogSw

-5.76

Polar Surface Area

66.512

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C301-6849 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C301-6849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6849?
Check Price and Availability of C301-6849, 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 C301-6849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6849
  • 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 C301-6849 available by request