G566-0462 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}naphthalene-1-carboxamide

G566-0462 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}naphthalene-1-carboxamide
G566-0462 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}naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0462
N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}naphthalene-1-carboxamide

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

G566-0462

Molecular Formula

C21H15N5O3S2 (C21 H15 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}naphthalene-1-carboxamide

IUPAC name

N-{5-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}naphthalene-1-carboxamide

SMILES

CC(ON12)=CC2=NC(CSc2nnc(NC(c3cccc4ccccc34)=O)s2)=CC1=O

InChI

InChI=1S/C21H15N5O3S2/c1-12-9-17-22-14(10-18(27)26(17)29-12)11-30-21-25-24-20(31-21)23-19(28)16-8-4-6-13-5-2-3-7-15(13)16/h2-10H,11H2,1H3,(H,23,24,28)

InChI Key

ZPOJFMDZXXGCSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.511

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.69

Polar Surface Area

84.156

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G566-0462 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 G566-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0462?
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What is the minimum amount of G566-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0462
  • 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 G566-0462 available by request