8005-6536 Screening compound: N-(2-{2-[(E)-1-(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide

8005-6536 Screening compound: N-(2-{2-[(E)-1-(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide
8005-6536 Screening compound: N-(2-{2-[(E)-1-(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6536
N-(2-{2-[(E)-1-(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide

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

8005-6536

Molecular Formula

C18H17N5O9 (C18 H17 N5 O9)

Compound Name

N-(2-{2-[(E)-1-(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide

IUPAC name

N-({N'-[(E)-(2-hydroxy-35-dinitrophenyl)methylidene]hydrazinecarbonyl}methyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCC(N/N=C/c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O)=O)=O)c1)c1OC

InChI

InChI=1S/C18H17N5O9/c1-31-14-4-3-10(6-15(14)32-2)18(26)19-9-16(24)21-20-8-11-5-12(22(27)28)7-13(17(11)25)23(29)30/h3-8,25H,9H2,1-2H3,(H,19,26)(H,21,24)

InChI Key

HUVCVWYBCNYTKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.36

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

-1.218

Water Solubility, LogSw

-2.85

Polar Surface Area

157.228

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8005-6536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6536?
Check Price and Availability of 8005-6536, 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 8005-6536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6536
  • 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 8005-6536 available by request