D620-0878 Screening compound: 1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperazine

D620-0878 Screening compound: 1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperazine
D620-0878 Screening compound: 1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D620-0878
1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperazine

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

D620-0878

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperazine

IUPAC name

1-cyclopropanecarbonyl-4-[4-(4-methylbenzenesulfonyl)-2-(2-methylphenyl)-13-oxazol-5-yl]piperazine

SMILES

Cc(cc1)ccc1S(c1c(N(CC2)CCN2C(C2CC2)=O)oc(-c2c(C)cccc2)n1)(=O)=O

InChI

InChI=1S/C25H27N3O4S/c1-17-7-11-20(12-8-17)33(30,31)23-25(32-22(26-23)21-6-4-3-5-18(21)2)28-15-13-27(14-16-28)24(29)19-9-10-19/h3-8,11-12,19H,9-10,13-16H2,1-2H3

InChI Key

HCRWXVPRLSQGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18172718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.34

Polar Surface Area

68.458

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D620-0878 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 D620-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D620-0878?
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What is the minimum amount of D620-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D620-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D620-0878
  • 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 D620-0878 available by request