C176-0419 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

C176-0419 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
C176-0419 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0419
2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-(3,5-dimethylphenyl)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

C176-0419

Molecular Formula

C23H19ClN2O5S2 (C23 H19 ClN2 O5 S2)

Compound Name

2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-{[4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-13-oxazol-5-yl]sulfanyl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc(oc(-c2ccco2)n2)c2S(c(cc2)ccc2Cl)(=O)=O)=O)cc(C)c1

InChI

InChI=1S/C23H19ClN2O5S2/c1-14-10-15(2)12-17(11-14)25-20(27)13-32-23-22(26-21(31-23)19-4-3-9-30-19)33(28,29)18-7-5-16(24)6-8-18/h3-12H,13H2,1-2H3,(H,25,27)

InChI Key

MBAQDYOOJIFYIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.92

Polar Surface Area

79.396

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C176-0419 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C176-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0419?
Check Price and Availability of C176-0419, 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 C176-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0419
  • 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 C176-0419 available by request