C482-0158 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl acetate

C482-0158 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl acetate
C482-0158 Screening compound: 4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0158
4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl 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

C482-0158

Molecular Formula

C16H13N3O4 (C16 H13 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1ccc(/C=C(/C(N2OC(C)=CC2=N2)=N)\C2=O)cc1)=O

InChI

InChI=1S/C16H13N3O4/c1-9-7-14-18-16(21)13(15(17)19(14)23-9)8-11-3-5-12(6-4-11)22-10(2)20/h3-8,17H,1-2H3

InChI Key

RPAQGILLLRCTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

-0.665

Water Solubility, LogSw

-1.80

Polar Surface Area

75.930

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C482-0158 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C482-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0158?
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What is the minimum amount of C482-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0158
  • 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 C482-0158 available by request