C482-0954 Screening compound: (6Z)-6-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

C482-0954 Screening compound: (6Z)-6-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
C482-0954 Screening compound: (6Z)-6-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0954
(6Z)-6-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-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

C482-0954

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

(6Z)-6-({1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

IUPAC name

(6Z)-6-({1-[2-(35-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H6H7H-[12]oxazolo[23-a]pyrimidin-5-one

SMILES

CC(ON1C(/C2=C/c3cccn3CCOc3cc(C)cc(C)c3)=N)=CC1=NC2=O

InChI

InChI=1S/C22H22N4O3/c1-14-9-15(2)11-18(10-14)28-8-7-25-6-4-5-17(25)13-19-21(23)26-20(24-22(19)27)12-16(3)29-26/h4-6,9-13,23H,7-8H2,1-3H3

InChI Key

YEGGYOHIXFAKCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

0.734

Water Solubility, LogSw

-3.12

Polar Surface Area

64.645

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C482-0954 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C482-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0954?
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What is the minimum amount of C482-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0954
  • 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 C482-0954 available by request