C482-0854 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

C482-0854 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
C482-0854 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0854
(6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

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

C482-0854

Molecular Formula

C22H18N4O6 (C22 H18 N4 O6)

Compound Name

(6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

IUPAC name

(6Z)-7-imino-6-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-5H6H7H-[12]oxazolo[23-a]pyrimidin-5-one

SMILES

CC(ON1C(/C2=C/c(cc3)cc(OC)c3OCc(cc3)ccc3[N+]([O-])=O)=N)=CC1=NC2=O

InChI

InChI=1S/C22H18N4O6/c1-13-9-20-24-22(27)17(21(23)25(20)32-13)10-15-5-8-18(19(11-15)30-2)31-12-14-3-6-16(7-4-14)26(28)29/h3-11,23H,12H2,1-2H3

InChI Key

MYPRNEZIRFGJRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

0.921

Water Solubility, LogSw

-2.84

Polar Surface Area

103.505

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C482-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0854?
Check Price and Availability of C482-0854, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C482-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0854
  • 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 C482-0854 available by request