G662-0052 Screening compound: ethyl 5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

G662-0052 Screening compound: ethyl 5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
G662-0052 Screening compound: ethyl 5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G662-0052
ethyl 5-({[2-(cyclohex-1-en-1-yl)ethyl]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

G662-0052

Molecular Formula

C18H22N4O5 (C18 H22 N4 O5)

Compound Name

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

IUPAC name

ethyl 5-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

CCOC(c1noc(N=CN2CC(NCCC3=CCCCC3)=O)c1C2=O)=O

InChI

InChI=1S/C18H22N4O5/c1-2-26-18(25)15-14-16(27-21-15)20-11-22(17(14)24)10-13(23)19-9-8-12-6-4-3-5-7-12/h6,11H,2-5,7-10H2,1H3,(H,19,23)

InChI Key

OGTQIMLXLZHLRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.737

Distribution Coefficient, logD

0.737

Water Solubility, LogSw

-1.39

Polar Surface Area

93.232

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G662-0052 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G662-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G662-0052?
Check Price and Availability of G662-0052, 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 G662-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G662-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G662-0052
  • 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 G662-0052 available by request