D403-0679 Screening compound: 1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one

D403-0679 Screening compound: 1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one
D403-0679 Screening compound: 1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-0679
1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one

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

D403-0679

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[2-(4-chlorophenyl)-4-(4-methylbenzenesulfonyl)-13-oxazol-5-yl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1c(oc(-c(cc1)ccc1Cl)n1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C22H22ClN3O4S/c1-15-3-9-19(10-4-15)31(28,29)21-22(26-13-11-25(12-14-26)16(2)27)30-20(24-21)17-5-7-18(23)8-6-17/h3-10H,11-14H2,1-2H3

InChI Key

APHKXYNPCCEUSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.55

Polar Surface Area

68.674

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D403-0679 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 D403-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-0679?
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What is the minimum amount of D403-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-0679
  • 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 D403-0679 available by request