8007-0113 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile

8007-0113 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
8007-0113 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0113
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3-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

8007-0113

Molecular Formula

C16H10N4O2 (C16 H10 N4 O2)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C16H10N4O2/c17-10-12(8-11-4-3-5-13(9-11)20(21)22)16-18-14-6-1-2-7-15(14)19-16/h1-9H,(H,18,19)

InChI Key

BMVPYKZTAYDWTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.28

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

3.461

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.91

Polar Surface Area

69.696

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8007-0113 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0113?
Check Price and Availability of 8007-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0113
  • 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 8007-0113 available by request