K788-9231 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

K788-9231 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
K788-9231 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9231
2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]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

K788-9231

Molecular Formula

C26H28F3N3O4S (C26 H28 F3 N3 O4 S)

Compound Name

2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

Cc1c(CSCC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C26H28F3N3O4S/c1-17-21(30-25(36-17)18-7-8-22(34-2)23(13-18)35-3)15-37-16-24(33)32-11-9-31(10-12-32)20-6-4-5-19(14-20)26(27,28)29/h4-8,13-14H,9-12,15-16H2,1-3H3

InChI Key

JMHTVCGFWOMAMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.59

Polar Surface Area

53.003

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with K788-9231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9231?
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What is the minimum amount of K788-9231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9231
  • 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 K788-9231 available by request