C528-1244 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-1-yl)ethan-1-one

C528-1244 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
C528-1244 Screening compound: 2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-1244
2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-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

C528-1244

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methanesulfonyl}-1-(4-methylpiperazin-1-yl)ethan-1-one

SMILES

Cc1c(CS(CC(N2CCN(C)CC2)=O)(=O)=O)nc(-c2c(C)cccc2)o1

InChI

InChI=1S/C19H25N3O4S/c1-14-6-4-5-7-16(14)19-20-17(15(2)26-19)12-27(24,25)13-18(23)22-10-8-21(3)9-11-22/h4-7H,8-13H2,1-3H3

InChI Key

LPFIKWZUNBQANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.881

Water Solubility, LogSw

-2.20

Polar Surface Area

66.258

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C528-1244 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C528-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-1244?
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What is the minimum amount of C528-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-1244
  • 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 C528-1244 available by request