G566-0931 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide

G566-0931 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide
G566-0931 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0931
N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide

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

G566-0931

Molecular Formula

C22H16F3N3O3S (C22 H16 F3 N3 O3 S)

Compound Name

N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide

IUPAC name

N-{4-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}-2-(trifluoromethyl)benzamide

SMILES

CC(ON12)=CC2=NC(CSc(cc2)ccc2NC(c2c(C(F)(F)F)cccc2)=O)=CC1=O

InChI

InChI=1S/C22H16F3N3O3S/c1-13-10-19-26-15(11-20(29)28(19)31-13)12-32-16-8-6-14(7-9-16)27-21(30)17-4-2-3-5-18(17)22(23,24)25/h2-11H,12H2,1H3,(H,27,30)

InChI Key

ODDXUAPLVFXLDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.96

Polar Surface Area

61.522

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G566-0931 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G566-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0931?
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What is the minimum amount of G566-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0931
  • 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 G566-0931 available by request