G583-1993 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(5-methylfuran-2-yl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-1993 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(5-methylfuran-2-yl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-1993 Screening compound: ethyl 3-(4-fluorophenyl)-4-{[(5-methylfuran-2-yl)methyl]amino}-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-1993
ethyl 3-(4-fluorophenyl)-4-{[(5-methylfuran-2-yl)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

G583-1993

Molecular Formula

C20H17FN4O4 (C20 H17 FN4 O4)

Compound Name

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

IUPAC name

ethyl 3-(4-fluorophenyl)-4-{[(5-methylfuran-2-yl)methyl]amino}-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(NCc2ccc(C)o2)c(c(-c(cc2)ccc2F)no2)c2n1)=O

InChI

InChI=1S/C20H17FN4O4/c1-3-27-20(26)18-23-17(22-10-14-9-4-11(2)28-14)15-16(25-29-19(15)24-18)12-5-7-13(21)8-6-12/h4-9H,3,10H2,1-2H3,(H,22,23,24)

InChI Key

JQFAIYQSHDTVPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.32

Polar Surface Area

79.801

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G583-1993 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G583-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-1993?
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What is the minimum amount of G583-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-1993
  • 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 G583-1993 available by request