3643-1646 Screening compound: (2E)-3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

3643-1646 Screening compound: (2E)-3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3643-1646 Screening compound: (2E)-3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1646
(2E)-3-(4-methoxy-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

3643-1646

Molecular Formula

C18H12N4O4 (C18 H12 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H12N4O4/c1-26-16-7-6-11(9-15(16)22(24)25)8-12(10-19)17-20-14-5-3-2-4-13(14)18(23)21-17/h2-9H,1H3,(H,20,21,23)

InChI Key

BIZMJSFUEYPGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

0.659

Water Solubility, LogSw

-2.89

Polar Surface Area

92.658

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3643-1646 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3643-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1646?
Check Price and Availability of 3643-1646, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3643-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1646
  • 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 3643-1646 available by request