G662-1096 Screening compound: ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

G662-1096 Screening compound: ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
G662-1096 Screening compound: ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G662-1096
ethyl 6-methyl-5-[(3-nitrophenyl)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

G662-1096

Molecular Formula

C16H14N4O6 (C16 H14 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1noc(N=C(C)N2Cc3cccc([N+]([O-])=O)c3)c1C2=O)=O

InChI

InChI=1S/C16H14N4O6/c1-3-25-16(22)13-12-14(26-18-13)17-9(2)19(15(12)21)8-10-5-4-6-11(7-10)20(23)24/h4-7H,3,8H2,1-2H3

InChI Key

XSPQAITWGGGDFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-2.29

Polar Surface Area

100.155

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G662-1096 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G662-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G662-1096?
Check Price and Availability of G662-1096, 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 G662-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G662-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G662-1096
  • 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 G662-1096 available by request