G662-1132 Screening compound: ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

G662-1132 Screening compound: ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
G662-1132 Screening compound: ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G662-1132
ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

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

G662-1132

Molecular Formula

C17H14N4O4 (C17 H14 N4 O4)

Compound Name

ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

IUPAC name

ethyl 5-[(3-cyanophenyl)methyl]-6-methyl-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

CCOC(c1noc(N=C(C)N2Cc3cc(C#N)ccc3)c1C2=O)=O

InChI

InChI=1S/C17H14N4O4/c1-3-24-17(23)14-13-15(25-20-14)19-10(2)21(16(13)22)9-12-6-4-5-11(7-12)8-18/h4-7H,3,9H2,1-2H3

InChI Key

AAAZQILPFRQRNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.580

Water Solubility, LogSw

-1.89

Polar Surface Area

83.830

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

G662-1132 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G662-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G662-1132?
Check Price and Availability of G662-1132, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G662-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G662-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G662-1132
  • 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 G662-1132 available by request