8007-0491 Screening compound: 2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-1,3-benzodiazole

8007-0491 Screening compound: 2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-1,3-benzodiazole
8007-0491 Screening compound: 2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0491
2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-1,3-benzodiazole

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

8007-0491

Molecular Formula

C23H21N5O4 (C23 H21 N5 O4)

Compound Name

2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-1,3-benzodiazole

IUPAC name

2-[(2Z)-2-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)hydrazin-1-yl]-1H-13-benzodiazole

SMILES

CCOc(cc(/C=N\Nc1nc(cccc2)c2[nH]1)cc1)c1OCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C23H21N5O4/c1-2-31-22-13-17(14-24-27-23-25-19-5-3-4-6-20(19)26-23)9-12-21(22)32-15-16-7-10-18(11-8-16)28(29)30/h3-14H,2,15H2,1H3,(H2,25,26,27)

InChI Key

VVPIDPIALFCRRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.60

Polar Surface Area

89.707

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8007-0491 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8007-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0491?
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What is the minimum amount of 8007-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0491
  • 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 8007-0491 available by request