0978-8218 Screening compound: (E)-N-(5-bromo-2-pyridyl)-3-(2,4-dichlorophenyl)-2-propenamide

0978-8218 Screening compound: (E)-N-(5-bromo-2-pyridyl)-3-(2,4-dichlorophenyl)-2-propenamide
0978-8218 Screening compound: (E)-N-(5-bromo-2-pyridyl)-3-(2,4-dichlorophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8218
(E)-N-(5-bromo-2-pyridyl)-3-(2,4-dichlorophenyl)-2-propenamide

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

0978-8218

Molecular Formula

C14H9BrCl2N2O (C14 H9 BrCl2 N2 O)

Compound Name

(E)-N-(5-bromo-2-pyridyl)-3-(2,4-dichlorophenyl)-2-propenamide

IUPAC name

(2E)-N-(5-bromopyridin-2-yl)-3-(24-dichlorophenyl)prop-2-enamide

SMILES

O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)ncc1Br

InChI

InChI=1S/C14H9BrCl2N2O/c15-10-3-5-13(18-8-10)19-14(20)6-2-9-1-4-11(16)7-12(9)17/h1-8H,(H,18,19,20)

InChI Key

KVNKNUFREBVOOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.05

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-6.05

Polar Surface Area

32.821

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0978-8218 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0978-8218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8218?
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What is the minimum amount of 0978-8218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8218
  • 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 0978-8218 available by request