C176-0376 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

C176-0376 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
C176-0376 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0376
2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

C176-0376

Molecular Formula

C21H22N2O6S2 (C21 H22 N2 O6 S2)

Compound Name

2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-13-oxazol-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1S(c(nc(-c1ccco1)o1)c1SCC(NCC1OCCC1)=O)(=O)=O

InChI

InChI=1S/C21H22N2O6S2/c1-14-6-8-16(9-7-14)31(25,26)20-21(29-19(23-20)17-5-3-11-28-17)30-13-18(24)22-12-15-4-2-10-27-15/h3,5-9,11,15H,2,4,10,12-13H2,1H3,(H,22,24)/t15-/m1/s1

InChI Key

VYAUTHZTTGZUDK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04459738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.36

Polar Surface Area

89.372

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C176-0376 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C176-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0376?
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What is the minimum amount of C176-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0376
  • 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 C176-0376 available by request