C517-4938 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

C517-4938 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
C517-4938 Screening compound: N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4938
N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

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

C517-4938

Molecular Formula

C22H24ClN3O4S (C22 H24 ClN3 O4 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[N-(3,5-dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[N-(35-dimethylphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamide

SMILES

Cc1noc(C)c1S(N(CC(NCc(cccc1)c1Cl)=O)c1cc(C)cc(C)c1)(=O)=O

InChI

InChI=1S/C22H24ClN3O4S/c1-14-9-15(2)11-19(10-14)26(31(28,29)22-16(3)25-30-17(22)4)13-21(27)24-12-18-7-5-6-8-20(18)23/h5-11H,12-13H2,1-4H3,(H,24,27)

InChI Key

IIZVEIDATTXLJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.34

Polar Surface Area

78.302

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C517-4938 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-4938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4938?
Check Price and Availability of C517-4938, 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 C517-4938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4938
  • 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 C517-4938 available by request