1286-0117 Screening compound: N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-1,3-benzodioxole-5-carboxamide

1286-0117 Screening compound: N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-1,3-benzodioxole-5-carboxamide
1286-0117 Screening compound: N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0117
N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-1,3-benzodioxole-5-carboxamide

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

1286-0117

Molecular Formula

C17H14N4O6 (C17 H14 N4 O6)

Compound Name

N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-({N'-[(E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2H-13-benzodioxole-5-carboxamide

SMILES

[O-][N+](c1ccc(/C=N/NC(CNC(c(cc2)cc3c2OCO3)=O)=O)cc1)=O

InChI

InChI=1S/C17H14N4O6/c22-16(20-19-8-11-1-4-13(5-2-11)21(24)25)9-18-17(23)12-3-6-14-15(7-12)27-10-26-14/h1-8H,9-10H2,(H,18,23)(H,20,22)

InChI Key

UGWTXLZPPFYWDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00650152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-3.00

Polar Surface Area

110.523

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1286-0117 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1286-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0117?
Check Price and Availability of 1286-0117, 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 1286-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0117
  • 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 1286-0117 available by request