5639-0155 Screening compound: (E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 3,4,5-trimethoxybenzoate

5639-0155 Screening compound: (E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 3,4,5-trimethoxybenzoate
5639-0155 Screening compound: (E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0155
(E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 3,4,5-trimethoxybenzoate

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

5639-0155

Molecular Formula

C22H19N3O7 (C22 H19 N3 O7)

Compound Name

(E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 3,4,5-trimethoxybenzoate

IUPAC name

(E)-[(4-nitrophenyl)(pyridin-4-yl)methylidene]amino 345-trimethoxybenzoate

SMILES

COc1cc(C(O/N=C(\c(cc2)ccc2[N+]([O-])=O)/c2ccncc2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H19N3O7/c1-29-18-12-16(13-19(30-2)21(18)31-3)22(26)32-24-20(15-8-10-23-11-9-15)14-4-6-17(7-5-14)25(27)28/h4-13H,1-3H3

InChI Key

VVMISSILMCSMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00491877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.96

Polar Surface Area

97.295

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5639-0155 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 5639-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0155?
Check Price and Availability of 5639-0155, 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 5639-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0155
  • 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 5639-0155 available by request