0895-0045 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-selenazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile

0895-0045 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-selenazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
0895-0045 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-selenazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0895-0045
(2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-selenazol-2-yl)-3-(thiophen-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

0895-0045

Molecular Formula

C22H14N2SSe (C22 H14 N2 SSe)

Compound Name

(2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-selenazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile

IUPAC name

(2E)-2-(4-{[11'-biphenyl]-4-yl}-13-selenazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)c[se]1)=C\c1cccs1

InChI

InChI=1S/C22H14N2SSe/c23-14-19(13-20-7-4-12-25-20)22-24-21(15-26-22)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-13,15H

InChI Key

DJQYEFCOOVDRAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.873

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-6.47

Polar Surface Area

28.113

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0895-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0895-0045?
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What is the minimum amount of 0895-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0895-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0895-0045
  • 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 0895-0045 available by request