3643-1661 Screening compound: (2E,4E)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-5-phenylpenta-2,4-dienenitrile

3643-1661 Screening compound: (2E,4E)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-5-phenylpenta-2,4-dienenitrile
3643-1661 Screening compound: (2E,4E)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-5-phenylpenta-2,4-dienenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1661
(2E,4E)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-5-phenylpenta-2,4-dienenitrile

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

3643-1661

Molecular Formula

C19H13N3O (C19 H13 N3 O)

Compound Name

(2E,4E)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-5-phenylpenta-2,4-dienenitrile

IUPAC name

(2E4E)-2-(4-oxo-34-dihydroquinazolin-2-yl)-5-phenylpenta-24-dienenitrile

SMILES

N#C/C(/C(N1)=Nc(cccc2)c2C1=O)=C\C=C\c1ccccc1

InChI

InChI=1S/C19H13N3O/c20-13-15(10-6-9-14-7-2-1-3-8-14)18-21-17-12-5-4-11-16(17)19(23)22-18/h1-12H,(H,21,22,23)

InChI Key

AVDMCGNSNMIEBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-3.84

Polar Surface Area

51.947

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3643-1661 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 3643-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1661?
Check Price and Availability of 3643-1661, 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 3643-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1661
  • 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 3643-1661 available by request