G566-0198 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]acetamide

G566-0198 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]acetamide
G566-0198 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0198
N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]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

G566-0198

Molecular Formula

C23H18F3N3O4S (C23 H18 F3 N3 O4 S)

Compound Name

N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]acetamide

IUPAC name

N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-[3-(trifluoromethyl)phenoxy]acetamide

SMILES

CC(ON12)=CC2=NC(CSc(cccc2)c2NC(COc2cc(C(F)(F)F)ccc2)=O)=CC1=O

InChI

InChI=1S/C23H18F3N3O4S/c1-14-9-20-27-16(11-22(31)29(20)33-14)13-34-19-8-3-2-7-18(19)28-21(30)12-32-17-6-4-5-15(10-17)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,30)

InChI Key

CXXLOBPWPRKPRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.92

Polar Surface Area

68.110

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G566-0198 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G566-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0198?
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What is the minimum amount of G566-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0198
  • 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 G566-0198 available by request