G566-0859 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}butanamide

G566-0859 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}butanamide
G566-0859 Screening compound: N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0859
N-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}butanamide

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

G566-0859

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(cc1)ccc1SCC(N=C1N2OC(C)=C1)=CC2=O)=O

InChI

InChI=1S/C18H19N3O3S/c1-3-4-17(22)20-13-5-7-15(8-6-13)25-11-14-10-18(23)21-16(19-14)9-12(2)24-21/h5-10H,3-4,11H2,1-2H3,(H,20,22)

InChI Key

KCQBYSCDFLGWNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

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

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.74

Polar Surface Area

61.580

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G566-0859 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 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 G566-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0859?
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What is the minimum amount of G566-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0859
  • 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 G566-0859 available by request