C482-0085 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

C482-0085 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)phenyl}methylidene)-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
C482-0085 Screening compound: (6Z)-7-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)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 C482-0085
(6Z)-7-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)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

C482-0085

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

(6Z)-7-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)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-[2-(4-methylphenoxy)ethoxy]-5-(prop-2-en-1-yl)phenyl}methylidene)-2-methyl-5H6H7H-[12]oxazolo[23-a]pyrimidin-5-one

SMILES

CC(ON1C(/C2=C/c(cc3CC=C)cc(OC)c3OCCOc3ccc(C)cc3)=N)=CC1=NC2=O

InChI

InChI=1S/C27H27N3O5/c1-5-6-20-14-19(15-22-26(28)30-24(29-27(22)31)13-18(3)35-30)16-23(32-4)25(20)34-12-11-33-21-9-7-17(2)8-10-21/h5,7-10,13-16,28H,1,6,11-12H2,2-4H3

InChI Key

RPGLBBLNRMXVOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-4.01

Polar Surface Area

77.546

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C482-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0085?
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What is the minimum amount of C482-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0085
  • 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 C482-0085 available by request