K213-0301 Screening compound: 3-(2-chlorophenyl)-N-{[3-(3,4-dimethylphenyl)adamantan-1-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide

K213-0301 Screening compound: 3-(2-chlorophenyl)-N-{[3-(3,4-dimethylphenyl)adamantan-1-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide
K213-0301 Screening compound: 3-(2-chlorophenyl)-N-{[3-(3,4-dimethylphenyl)adamantan-1-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K213-0301
3-(2-chlorophenyl)-N-{[3-(3,4-dimethylphenyl)adamantan-1-yl]methyl}-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

K213-0301

Molecular Formula

C30H33ClN2O2 (C30 H33 ClN2 O2)

Compound Name

3-(2-chlorophenyl)-N-{[3-(3,4-dimethylphenyl)adamantan-1-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-{[3-(34-dimethylphenyl)adamantan-1-yl]methyl}-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCC(CC(C2)C3)(CC2C2)CC23c2cc(C)c(C)cc2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C30H33ClN2O2/c1-18-8-9-23(10-19(18)2)30-14-21-11-22(15-30)13-29(12-21,16-30)17-32-28(34)26-20(3)35-33-27(26)24-6-4-5-7-25(24)31/h4-10,21-22H,11-17H2,1-3H3,(H,32,34)

InChI Key

IVFQTTRNUSESKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.727

Distribution Coefficient, logD

7.727

Water Solubility, LogSw

-6.44

Polar Surface Area

46.374

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

K213-0301 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K213-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K213-0301?
Check Price and Availability of K213-0301, 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 K213-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K213-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K213-0301
  • 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 K213-0301 available by request