8013-9891 Screening compound: 2-methyl-3-{[(E)-1-(2-nitrophenyl)methylidene]amino}-4(3H)-quinazolinone

8013-9891 Screening compound: 2-methyl-3-{[(E)-1-(2-nitrophenyl)methylidene]amino}-4(3H)-quinazolinone
8013-9891 Screening compound: 2-methyl-3-{[(E)-1-(2-nitrophenyl)methylidene]amino}-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9891
2-methyl-3-{[(E)-1-(2-nitrophenyl)methylidene]amino}-4(3H)-quinazolinone

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

8013-9891

Molecular Formula

C16H12N4O3 (C16 H12 N4 O3)

Compound Name

2-methyl-3-{[(E)-1-(2-nitrophenyl)methylidene]amino}-4(3H)-quinazolinone

IUPAC name

2-methyl-3-[(E)-[(2-nitrophenyl)methylidene]amino]-34-dihydroquinazolin-4-one

SMILES

CC(N1/N=C/c(cccc2)c2[N+]([O-])=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H12N4O3/c1-11-18-14-8-4-3-7-13(14)16(21)19(11)17-10-12-6-2-5-9-15(12)20(22)23/h2-10H,1H3

InChI Key

DAWLTUNHZIHJJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.68

Polar Surface Area

67.881

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

References: we are preparing a list of scientific research reports with 8013-9891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9891?
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What is the minimum amount of 8013-9891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9891
  • 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 8013-9891 available by request