2237-1805 Screening compound: (2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

2237-1805 Screening compound: (2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
2237-1805 Screening compound: (2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1805
(2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-1,3-benzodiazol-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

2237-1805

Molecular Formula

C17H11ClN4O2 (C17 H11 ClN4 O2)

Compound Name

(2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1nc(/C(/C#N)=C/c(cc(cc1)[N+]([O-])=O)c1Cl)[nH]2

InChI

InChI=1S/C17H11ClN4O2/c1-10-2-5-15-16(6-10)21-17(20-15)12(9-19)7-11-8-13(22(23)24)3-4-14(11)18/h2-8H,1H3,(H,20,21)

InChI Key

DYHKGROGHPFQAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.92

Polar Surface Area

69.696

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2237-1805 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2237-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1805?
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What is the minimum amount of 2237-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1805
  • 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 2237-1805 available by request