8010-2695 Screening compound: (Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 3,4-dimethoxybenzoate

8010-2695 Screening compound: (Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 3,4-dimethoxybenzoate
8010-2695 Screening compound: (Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2695
(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 3,4-dimethoxybenzoate

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

8010-2695

Molecular Formula

C17H17N3O6 (C17 H17 N3 O6)

Compound Name

(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 3,4-dimethoxybenzoate

IUPAC name

(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino 34-dimethoxybenzoate

SMILES

COc(ccc(C(O/N=C(/Cc(cc1)ccc1[N+]([O-])=O)\N)=O)c1)c1OC

InChI

InChI=1S/C17H17N3O6/c1-24-14-8-5-12(10-15(14)25-2)17(21)26-19-16(18)9-11-3-6-13(7-4-11)20(22)23/h3-8,10H,9H2,1-2H3,(H2,18,19)

InChI Key

JPZWXZOJJMNYHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01049245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.66

Polar Surface Area

100.654

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8010-2695 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-2695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2695?
Check Price and Availability of 8010-2695, 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 8010-2695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2695
  • 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 8010-2695 available by request