C176-0444 Screening compound: 2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

C176-0444 Screening compound: 2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide
C176-0444 Screening compound: 2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0444
2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

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

C176-0444

Molecular Formula

C21H21BrN2O5S2 (C21 H21 BrN2 O5 S2)

Compound Name

2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[4-(4-bromobenzenesulfonyl)-2-(furan-2-yl)-13-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc(oc(-c1ccco1)n1)c1S(c(cc1)ccc1Br)(=O)=O)NC1CCCCC1

InChI

InChI=1S/C21H21BrN2O5S2/c22-14-8-10-16(11-9-14)31(26,27)20-21(29-19(24-20)17-7-4-12-28-17)30-13-18(25)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2,(H,23,25)

InChI Key

ZCXMPGQQGQDFDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.44

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

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.69

Polar Surface Area

80.443

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C176-0444 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0444?
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What is the minimum amount of C176-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0444
  • 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 C176-0444 available by request