3643-1613 Screening compound: (2E)-3-(3-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

3643-1613 Screening compound: (2E)-3-(3-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3643-1613 Screening compound: (2E)-3-(3-bromophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1613
(2E)-3-(3-bromophenyl)-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

3643-1613

Molecular Formula

C17H10BrN3O (C17 H10 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

N#C/C(/C(N1)=Nc(cccc2)c2C1=O)=C\c1cccc(Br)c1

InChI

InChI=1S/C17H10BrN3O/c18-13-5-3-4-11(9-13)8-12(10-19)16-20-15-7-2-1-6-14(15)17(22)21-16/h1-9H,(H,20,21,22)

InChI Key

IMXUTGLJHOWVAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02176121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-3.94

Polar Surface Area

51.947

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 3643-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1613?
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What is the minimum amount of 3643-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1613
  • 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 3643-1613 available by request