C528-1145 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

C528-1145 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
C528-1145 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-1145
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

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

C528-1145

Molecular Formula

C21H18ClF3N2O4S (C21 H18 ClF3 N2 O4 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methanesulfonyl}acetamide

SMILES

Cc1c(CS(CC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)(=O)=O)nc(-c2c(C)cccc2)o1

InChI

InChI=1S/C21H18ClF3N2O4S/c1-12-5-3-4-6-15(12)20-27-18(13(2)31-20)10-32(29,30)11-19(28)26-17-9-14(21(23,24)25)7-8-16(17)22/h3-9H,10-11H2,1-2H3,(H,26,28)

InChI Key

XIIYQQSMOBIILK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.47

Polar Surface Area

68.841

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C528-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-1145?
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What is the minimum amount of C528-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-1145
  • 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 C528-1145 available by request