G662-1250 Screening compound: ethyl 5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

G662-1250 Screening compound: ethyl 5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
G662-1250 Screening compound: ethyl 5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G662-1250
ethyl 5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-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

G662-1250

Molecular Formula

C20H20N4O7 (C20 H20 N4 O7)

Compound Name

ethyl 5-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

IUPAC name

ethyl 5-{1-[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]ethyl}-6-methyl-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

CCOC(c1noc(N=C(C)N2C(C)C(Nc(cc3)cc4c3OCCO4)=O)c1C2=O)=O

InChI

InChI=1S/C20H20N4O7/c1-4-28-20(27)16-15-18(31-23-16)21-11(3)24(19(15)26)10(2)17(25)22-12-5-6-13-14(9-12)30-8-7-29-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,25)/t10-/m0/s1

InChI Key

OGXCURYVCZPWID-JTQLQIEISA-N

MDL Number (MFCD)

MFCD15026937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.270

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-2.00

Polar Surface Area

105.300

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G662-1250 in Drug Discovery

Included in Screening Libraries

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

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 G662-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G662-1250?
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What is the minimum amount of G662-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G662-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G662-1250
  • 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 G662-1250 available by request