C301-6638 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C301-6638 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
C301-6638 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6638
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide

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

C301-6638

Molecular Formula

C22H17BrClN3O2S (C22 H17 BrClN3 O2 S)

Compound Name

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

N-[4-(4-bromophenyl)-13-thiazol-2-yl]-3-(2-chlorophenyl)-N-ethyl-5-methyl-12-oxazole-4-carboxamide

SMILES

CCN(C(c1c(C)onc1-c(cccc1)c1Cl)=O)c1nc(-c(cc2)ccc2Br)cs1

InChI

InChI=1S/C22H17BrClN3O2S/c1-3-27(22-25-18(12-30-22)14-8-10-15(23)11-9-14)21(28)19-13(2)29-26-20(19)16-6-4-5-7-17(16)24/h4-12H,3H2,1-2H3

InChI Key

CAKOOGWCQPDMDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.712

Distribution Coefficient, logD

6.712

Water Solubility, LogSw

-6.28

Polar Surface Area

47.095

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C301-6638 in Drug Discovery

Included in Screening Libraries

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 C301-6638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6638?
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What is the minimum amount of C301-6638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6638
  • 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 C301-6638 available by request