C482-0591 Screening compound: 2-ethoxy-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

C482-0591 Screening compound: 2-ethoxy-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate
C482-0591 Screening compound: 2-ethoxy-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0591
2-ethoxy-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

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

C482-0591

Molecular Formula

C23H18FN3O5 (C23 H18 FN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N1OC(C)=CC1=N1)=N)\C1=O)cc1)c1OC(c(cc1)ccc1F)=O

InChI

InChI=1S/C23H18FN3O5/c1-3-30-19-12-14(4-9-18(19)31-23(29)15-5-7-16(24)8-6-15)11-17-21(25)27-20(26-22(17)28)10-13(2)32-27/h4-12,25H,3H2,1-2H3

InChI Key

WSOIVFOJFKAFOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-2.86

Polar Surface Area

82.853

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C482-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0591?
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What is the minimum amount of C482-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0591
  • 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 C482-0591 available by request