C660-0956 Screening compound: methyl 2-[3-(3-fluorophenyl)-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetate

C660-0956 Screening compound: methyl 2-[3-(3-fluorophenyl)-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetate
C660-0956 Screening compound: methyl 2-[3-(3-fluorophenyl)-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0956
methyl 2-[3-(3-fluorophenyl)-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetate

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

C660-0956

Molecular Formula

C14H10FN3O4 (C14 H10 FN3 O4)

Compound Name

methyl 2-[3-(3-fluorophenyl)-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetate

IUPAC name

methyl 2-[3-(3-fluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetate

SMILES

COC(CN(C=Nc1c2c(-c3cccc(F)c3)no1)C2=O)=O

InChI

InChI=1S/C14H10FN3O4/c1-21-10(19)6-18-7-16-13-11(14(18)20)12(17-22-13)8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3

InChI Key

ZIKJFESJGOUMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.042

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.01

Polar Surface Area

68.552

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

C660-0956 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Targeted Diversity Library (40567 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 C660-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0956?
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What is the minimum amount of C660-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0956
  • 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 C660-0956 available by request