2181-0745 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(1Z,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

2181-0745 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(1Z,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
2181-0745 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(1Z,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0745
2-[(2-methylphenyl)amino]-N'-[(1Z,2E)-3-(3-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

2181-0745

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

2-[(2-methylphenyl)amino]-N'-[(1Z,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

IUPAC name

2-[(2-methylphenyl)amino]-N'-[(1Z2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

SMILES

Cc(cccc1)c1NCC(N/N=C\C=C\c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H18N4O3/c1-14-6-2-3-10-17(14)19-13-18(23)21-20-11-5-8-15-7-4-9-16(12-15)22(24)25/h2-12,19H,13H2,1H3,(H,21,23)

InChI Key

PZHCOMGWNITOCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.68

Polar Surface Area

79.162

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2181-0745 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 2181-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0745?
Check Price and Availability of 2181-0745, 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 2181-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0745
  • 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 2181-0745 available by request