3643-1624 Screening compound: (2E)-3-[2-(benzyloxy)phenyl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

3643-1624 Screening compound: (2E)-3-[2-(benzyloxy)phenyl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3643-1624 Screening compound: (2E)-3-[2-(benzyloxy)phenyl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1624
(2E)-3-[2-(benzyloxy)phenyl]-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

3643-1624

Molecular Formula

C24H17N3O2 (C24 H17 N3 O2)

Compound Name

(2E)-3-[2-(benzyloxy)phenyl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-[2-(benzyloxy)phenyl]-2-(4-oxo-34-dihydroquinazolin-2-yl)prop-2-enenitrile

SMILES

N#C/C(/C(N1)=Nc(cccc2)c2C1=O)=C\c(cccc1)c1OCc1ccccc1

InChI

InChI=1S/C24H17N3O2/c25-15-19(23-26-21-12-6-5-11-20(21)24(28)27-23)14-18-10-4-7-13-22(18)29-16-17-8-2-1-3-9-17/h1-14H,16H2,(H,26,27,28)

InChI Key

FFVXLKVDNSPGLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-4.68

Polar Surface Area

59.261

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3643-1624 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 3643-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1624?
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What is the minimum amount of 3643-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1624
  • 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 3643-1624 available by request