C301-6990 Screening compound: ethyl 2-({[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate

C301-6990 Screening compound: ethyl 2-({[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate
C301-6990 Screening compound: ethyl 2-({[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6990
ethyl 2-({[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate

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

C301-6990

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

ethyl 2-({[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate

IUPAC name

ethyl 2-({[4-(4-cyclohexylphenyl)-13-thiazol-2-yl](ethyl)carbamoyl}amino)benzoate

SMILES

CCN(C(Nc(cccc1)c1C(OCC)=O)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1

InChI

InChI=1S/C27H31N3O3S/c1-3-30(26(32)28-23-13-9-8-12-22(23)25(31)33-4-2)27-29-24(18-34-27)21-16-14-20(15-17-21)19-10-6-5-7-11-19/h8-9,12-19H,3-7,10-11H2,1-2H3,(H,28,32)

InChI Key

WHUFWTNRQVTYJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.426

Distribution Coefficient, logD

8.426

Water Solubility, LogSw

-5.66

Polar Surface Area

53.932

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C301-6990 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 C301-6990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6990?
Check Price and Availability of C301-6990, 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 C301-6990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6990
  • 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 C301-6990 available by request