3254-0908 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

3254-0908 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
3254-0908 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0908
2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

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

3254-0908

Molecular Formula

C19H17N5O3S (C19 H17 N5 O3 S)

Compound Name

2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

IUPAC name

2-[(1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]-N'-[(1E2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

SMILES

Cn1c(SCC(N/N=C/C=C\c(cccc2)c2[N+]([O-])=O)=O)nc2c1cccc2

InChI

InChI=1S/C19H17N5O3S/c1-23-17-11-5-3-9-15(17)21-19(23)28-13-18(25)22-20-12-6-8-14-7-2-4-10-16(14)24(26)27/h2-12H,13H2,1H3,(H,22,25)

InChI Key

NSKPVIWWYIXTDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.52

Polar Surface Area

80.645

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3254-0908 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

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 3254-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0908?
Check Price and Availability of 3254-0908, 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 3254-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0908
  • 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 3254-0908 available by request