C517-4671 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1,2-oxazole-4-sulfonamido}acetamide

C517-4671 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1,2-oxazole-4-sulfonamido}acetamide
C517-4671 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1,2-oxazole-4-sulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4671
N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]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

C517-4671

Molecular Formula

C24H28ClN3O4S (C24 H28 ClN3 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]3,5-dimethyl-1,2-oxazole-4-sulfonamido}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{N-[4-(propan-2-yl)phenyl]35-dimethyl-12-oxazole-4-sulfonamido}acetamide

SMILES

CC(C)c(cc1)ccc1N(CC(NCCc(cc1)ccc1Cl)=O)S(c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C24H28ClN3O4S/c1-16(2)20-7-11-22(12-8-20)28(33(30,31)24-17(3)27-32-18(24)4)15-23(29)26-14-13-19-5-9-21(25)10-6-19/h5-12,16H,13-15H2,1-4H3,(H,26,29)

InChI Key

RKLNICCYRGLWAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.72

Polar Surface Area

78.143

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C517-4671 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C517-4671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4671?
Check Price and Availability of C517-4671, 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 C517-4671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4671
  • 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 C517-4671 available by request