C176-0316 Screening compound: 5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazole

C176-0316 Screening compound: 5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazole
C176-0316 Screening compound: 5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0316
5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazole

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

C176-0316

Molecular Formula

C17H16ClNO3S3 (C17 H16 ClNO3 S3)

Compound Name

5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazole

IUPAC name

5-(butylsulfanyl)-4-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)-13-oxazole

SMILES

CCCCSc(oc(-c1cccs1)n1)c1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C17H16ClNO3S3/c1-2-3-10-24-17-16(19-15(22-17)14-5-4-11-23-14)25(20,21)13-8-6-12(18)7-9-13/h4-9,11H,2-3,10H2,1H3

InChI Key

PVUHNEVUNLCMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-6.22

Polar Surface Area

48.958

Acid Dissociation Constant (pKa)

27.92

Base Dissociation Constant (pKb)

-7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C176-0316 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0316?
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What is the minimum amount of C176-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0316
  • 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 C176-0316 available by request