C482-0922 Screening compound: 7-IMINO-6-{(Z)-1-[1-(2-METHOXY-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-METHYL-5H-ISOXAZOLO[2,3-A]PYRIMIDIN-5(7H)-ONE

C482-0922 Screening compound: 7-IMINO-6-{(Z)-1-[1-(2-METHOXY-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-METHYL-5H-ISOXAZOLO[2,3-A]PYRIMIDIN-5(7H)-ONE
C482-0922 Screening compound: 7-IMINO-6-{(Z)-1-[1-(2-METHOXY-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-METHYL-5H-ISOXAZOLO[2,3-A]PYRIMIDIN-5(7H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0922
7-IMINO-6-{(Z)-1-[1-(2-METHOXY-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-METHYL-5H-ISOXAZOLO[2,3-A]PYRIMIDIN-5(7H)-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

C482-0922

Molecular Formula

C21H19N5O5 (C21 H19 N5 O5)

Compound Name

7-IMINO-6-{(Z)-1-[1-(2-METHOXY-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-METHYL-5H-ISOXAZOLO[2,3-A]PYRIMIDIN-5(7H)-ONE

IUPAC name

n/a

SMILES

Cc1cc(/C=C(/C(N2OC(C)=CC2=N2)=N)\C2=O)c(C)n1-c(ccc([N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C21H19N5O5/c1-11-7-14(9-16-20(22)25-19(23-21(16)27)8-12(2)31-25)13(3)24(11)17-6-5-15(26(28)29)10-18(17)30-4/h5-10,22H,1-4H3

InChI Key

GKHHBEDHIZIRPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

0.458

Water Solubility, LogSw

-2.81

Polar Surface Area

98.554

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C482-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0922?
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What is the minimum amount of C482-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0922
  • 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 C482-0922 available by request