G566-0149 Screening compound: 2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

G566-0149 Screening compound: 2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
G566-0149 Screening compound: 2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0149
2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

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

G566-0149

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

IUPAC name

2-methyl-5-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-124-triazol-3-yl}sulfanyl)methyl]-7H-[12]oxazolo[23-a]pyrimidin-7-one

SMILES

CC(ON12)=CC2=NC(CSc2nnc(COc3c(C)cccc3)n2C)=CC1=O

InChI

InChI=1S/C19H19N5O3S/c1-12-6-4-5-7-15(12)26-10-17-21-22-19(23(17)3)28-11-14-9-18(25)24-16(20-14)8-13(2)27-24/h4-9H,10-11H2,1-3H3

InChI Key

SRYAHDWCWAVBJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.780

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.25

Polar Surface Area

72.076

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G566-0149 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G566-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0149?
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What is the minimum amount of G566-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0149
  • 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 G566-0149 available by request