C301-6982 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)urea

C301-6982 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)urea
C301-6982 Screening compound: 3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6982
3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)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

C301-6982

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

3-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)urea

IUPAC name

3-[4-(4-cyclohexylphenyl)-13-thiazol-2-yl]-3-ethyl-1-(3-methoxyphenyl)urea

SMILES

CCN(C(Nc1cc(OC)ccc1)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C25H29N3O2S/c1-3-28(24(29)26-21-10-7-11-22(16-21)30-2)25-27-23(17-31-25)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h7,10-18H,3-6,8-9H2,1-2H3,(H,26,29)

InChI Key

FBPAUSCGXLGBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.828

Distribution Coefficient, logD

7.828

Water Solubility, LogSw

-5.53

Polar Surface Area

41.420

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C301-6982 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 C301-6982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6982?
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What is the minimum amount of C301-6982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6982
  • 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 C301-6982 available by request