C482-0666 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}phenyl benzoate

C482-0666 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}phenyl benzoate
C482-0666 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}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0666
2-chloro-4-{[(6Z)-7-imino-2-methyl-5-oxo-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-6-ylidene]methyl}phenyl benzoate

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

C482-0666

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

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}phenyl benzoate

IUPAC name

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

SMILES

CC(ON1C(/C2=C/c(cc3)cc(Cl)c3OC(c3ccccc3)=O)=N)=CC1=NC2=O

InChI

InChI=1S/C21H14ClN3O4/c1-12-9-18-24-20(26)15(19(23)25(18)29-12)10-13-7-8-17(16(22)11-13)28-21(27)14-5-3-2-4-6-14/h2-11,23H,1H3

InChI Key

FSAJIUUJQGEKJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-3.77

Polar Surface Area

75.643

Acid Dissociation Constant (pKa)

32.91

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C482-0666 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C482-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0666?
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What is the minimum amount of C482-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0666
  • 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 C482-0666 available by request