G662-0055 Screening compound: ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

G662-0055 Screening compound: ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
G662-0055 Screening compound: ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G662-0055
ethyl 5-{[(3-chlorophenyl)carbamoyl]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

G662-0055

Molecular Formula

C16H13ClN4O5 (C16 H13 ClN4 O5)

Compound Name

ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

IUPAC name

ethyl 5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

CCOC(c1noc(N=CN2CC(Nc3cccc(Cl)c3)=O)c1C2=O)=O

InChI

InChI=1S/C16H13ClN4O5/c1-2-25-16(24)13-12-14(26-20-13)18-8-21(15(12)23)7-11(22)19-10-5-3-4-9(17)6-10/h3-6,8H,2,7H2,1H3,(H,19,22)

InChI Key

CVLUMIWWTYRHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-3.13

Polar Surface Area

91.876

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G662-0055 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G662-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G662-0055?
Check Price and Availability of G662-0055, 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 G662-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G662-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G662-0055
  • 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 G662-0055 available by request