C482-0568 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C482-0568 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C482-0568 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0568
4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-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

C482-0568

Molecular Formula

C19H13N3O5 (C19 H13 N3 O5)

Compound Name

4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

4-{[(6Z)-7-imino-2-methyl-5-oxo-5H6H7H-[12]oxazolo[23-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CC(ON1C(/C2=C/c(cc3)ccc3OC(c3ccco3)=O)=N)=CC1=NC2=O

InChI

InChI=1S/C19H13N3O5/c1-11-9-16-21-18(23)14(17(20)22(16)27-11)10-12-4-6-13(7-5-12)26-19(24)15-3-2-8-25-15/h2-10,20H,1H3

InChI Key

UKLPKCAPXPJOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

0.079

Water Solubility, LogSw

-1.72

Polar Surface Area

84.135

Acid Dissociation Constant (pKa)

32.91

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C482-0568 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C482-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0568?
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What is the minimum amount of C482-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0568
  • 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 C482-0568 available by request