C482-0602 Screening compound: 2-chloro-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 4-methylbenzoate

C482-0602 Screening compound: 2-chloro-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 4-methylbenzoate
C482-0602 Screening compound: 2-chloro-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0602
2-chloro-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 4-methylbenzoate

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

C482-0602

Molecular Formula

C23H18ClN3O5 (C23 H18 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(ON1C(/C2=C/c(cc3OC)cc(Cl)c3OC(c3ccc(C)cc3)=O)=N)=CC1=NC2=O

InChI

InChI=1S/C23H18ClN3O5/c1-12-4-6-15(7-5-12)23(29)31-20-17(24)10-14(11-18(20)30-3)9-16-21(25)27-19(26-22(16)28)8-13(2)32-27/h4-11,25H,1-3H3

InChI Key

JPFPKPVBLDEGKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

2.382

Water Solubility, LogSw

-4.50

Polar Surface Area

83.360

Acid Dissociation Constant (pKa)

28.80

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 C482-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0602?
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What is the minimum amount of C482-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0602
  • 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 C482-0602 available by request