C301-6797 Screening compound: ethyl 2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl](propyl)carbamoyl}amino)benzoate

C301-6797 Screening compound: ethyl 2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl](propyl)carbamoyl}amino)benzoate
C301-6797 Screening compound: ethyl 2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl](propyl)carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6797
ethyl 2-({[4-(3-bromophenyl)-1,3-thiazol-2-yl](propyl)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

C301-6797

Molecular Formula

C22H22BrN3O3S (C22 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

ethyl 2-({[4-(3-bromophenyl)-13-thiazol-2-yl](propyl)carbamoyl}amino)benzoate

SMILES

CCCN(C(Nc(cccc1)c1C(OCC)=O)=O)c1nc(-c2cccc(Br)c2)cs1

InChI

InChI=1S/C22H22BrN3O3S/c1-3-12-26(22-25-19(14-30-22)15-8-7-9-16(23)13-15)21(28)24-18-11-6-5-10-17(18)20(27)29-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,28)

InChI Key

QEJGNWVGNDBMJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.41

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

7.297

Distribution Coefficient, logD

7.297

Water Solubility, LogSw

-5.65

Polar Surface Area

54.265

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C301-6797 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 C301-6797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6797?
Check Price and Availability of C301-6797, 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 C301-6797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6797
  • 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 C301-6797 available by request