3643-1617 Screening compound: (2E)-3-(3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

3643-1617 Screening compound: (2E)-3-(3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3643-1617 Screening compound: (2E)-3-(3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1617
(2E)-3-(3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

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

3643-1617

Molecular Formula

C17H10N4O3 (C17 H10 N4 O3)

Compound Name

(2E)-3-(3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(3-nitrophenyl)-2-(4-oxo-34-dihydroquinazolin-2-yl)prop-2-enenitrile

SMILES

N#C/C(/C(N1)=Nc(cccc2)c2C1=O)=C\c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C17H10N4O3/c18-10-12(8-11-4-3-5-13(9-11)21(23)24)16-19-15-7-2-1-6-14(15)17(22)20-16/h1-9H,(H,19,20,22)

InChI Key

NOIFWKVMSUJBLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-3.20

Polar Surface Area

85.329

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3643-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1617?
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What is the minimum amount of 3643-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1617
  • 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 3643-1617 available by request