G566-0478 Screening compound: N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide

G566-0478 Screening compound: N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide
G566-0478 Screening compound: N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0478
N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-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

G566-0478

Molecular Formula

C18H12F3N5O3S2 (C18 H12 F3 N5 O3 S2)

Compound Name

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

IUPAC name

N-{5-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-2-(trifluoromethyl)benzamide

SMILES

CC(ON12)=CC2=NC(CSc2nnc(NC(c3c(C(F)(F)F)cccc3)=O)s2)=CC1=O

InChI

InChI=1S/C18H12F3N5O3S2/c1-9-6-13-22-10(7-14(27)26(13)29-9)8-30-17-25-24-16(31-17)23-15(28)11-4-2-3-5-12(11)18(19,20)21/h2-7H,8H2,1H3,(H,23,24,28)

InChI Key

KNOYZIPNKHLBII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-3.69

Polar Surface Area

84.428

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G566-0478 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G566-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0478?
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What is the minimum amount of G566-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0478
  • 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 G566-0478 available by request