G583-2004 Screening compound: ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

G583-2004 Screening compound: ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
G583-2004 Screening compound: ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G583-2004
ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)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

G583-2004

Molecular Formula

C21H17FN4O3 (C21 H17 FN4 O3)

Compound Name

ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-(4-fluorophenyl)-4-[(4-methylphenyl)amino]-[12]oxazolo[54-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1nc(Nc2ccc(C)cc2)c(c(-c(cc2)ccc2F)no2)c2n1)=O

InChI

InChI=1S/C21H17FN4O3/c1-3-28-21(27)19-24-18(23-15-10-4-12(2)5-11-15)16-17(26-29-20(16)25-19)13-6-8-14(22)9-7-13/h4-11H,3H2,1-2H3,(H,23,24,25)

InChI Key

KZPRJDMAAUWXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.76

Polar Surface Area

71.216

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G583-2004 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G583-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G583-2004?
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What is the minimum amount of G583-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G583-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G583-2004
  • 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 G583-2004 available by request