K213-0166 Screening compound: 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

K213-0166 Screening compound: 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
K213-0166 Screening compound: 3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K213-0166
3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-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

K213-0166

Molecular Formula

C24H15Cl2N3O3 (C24 H15 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)cc3c2oc(-c(cc2)ccc2Cl)n3)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C24H15Cl2N3O3/c1-13-21(22(29-32-13)17-4-2-3-5-18(17)26)23(30)27-16-10-11-20-19(12-16)28-24(31-20)14-6-8-15(25)9-7-14/h2-12H,1H3,(H,27,30)

InChI Key

JUSNNHYXHSXGIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.973

Distribution Coefficient, logD

5.971

Water Solubility, LogSw

-6.02

Polar Surface Area

62.100

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

K213-0166 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K213-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K213-0166?
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What is the minimum amount of K213-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K213-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K213-0166
  • 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 K213-0166 available by request