G583-1971 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-1971 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-1971 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-1971
ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-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

G583-1971

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-(4-fluorophenyl)-4-{[(3-methoxyphenyl)methyl]amino}-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(NCc2cc(OC)ccc2)c(c(-c(cc2)ccc2F)no2)c2n1)=O

InChI

InChI=1S/C22H19FN4O4/c1-3-30-22(28)20-25-19(24-12-13-5-4-6-16(11-13)29-2)17-18(27-31-21(17)26-20)14-7-9-15(23)10-8-14/h4-11H,3,12H2,1-2H3,(H,24,25,26)

InChI Key

RWZHKIYBCWBBMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.53

Polar Surface Area

80.082

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G583-1971 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G583-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-1971?
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What is the minimum amount of G583-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-1971
  • 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 G583-1971 available by request