2389-3215 Screening compound: (2Z)-3-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile

2389-3215 Screening compound: (2Z)-3-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
2389-3215 Screening compound: (2Z)-3-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-3215
(2Z)-3-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)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

2389-3215

Molecular Formula

C17H12N4O3 (C17 H12 N4 O3)

Compound Name

(2Z)-3-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile

IUPAC name

(2Z)-3-hydroxy-2-(1-methyl-1H-13-benzodiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile

SMILES

Cn1c(/C(/C#N)=C(/c(cc2)ccc2[N+]([O-])=O)\O)nc2c1cccc2

InChI

InChI=1S/C17H12N4O3/c1-20-15-5-3-2-4-14(15)19-17(20)13(10-18)16(22)11-6-8-12(9-7-11)21(23)24/h2-9,22H,1H3

InChI Key

MHDQZKUKVVDWNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-3.25

Polar Surface Area

77.966

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2389-3215 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 2389-3215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-3215?
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What is the minimum amount of 2389-3215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-3215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-3215
  • 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 2389-3215 available by request