2535-3086 Screening compound: (2Z)-N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

2535-3086 Screening compound: (2Z)-N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide
2535-3086 Screening compound: (2Z)-N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2535-3086
(2Z)-N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

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

2535-3086

Molecular Formula

C25H22ClN3O7 (C25 H22 ClN3 O7)

Compound Name

(2Z)-N-(4-chloro-3-nitrophenyl)-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

IUPAC name

(2Z)-N-(4-chloro-3-nitrophenyl)-2-[(34-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

SMILES

COc1c(/C=C(/C(Nc(cc2)cc([N+]([O-])=O)c2Cl)=O)\NC(c(cc2)cc(OC)c2OC)=O)cccc1

InChI

InChI=1S/C25H22ClN3O7/c1-34-21-7-5-4-6-15(21)12-19(25(31)27-17-9-10-18(26)20(14-17)29(32)33)28-24(30)16-8-11-22(35-2)23(13-16)36-3/h4-14H,1-3H3,(H,27,31)(H,28,30)

InChI Key

MMWNKRGRIMIASY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-4.64

Polar Surface Area

101.226

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2535-3086 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2535-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2535-3086?
Check Price and Availability of 2535-3086, 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 2535-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2535-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2535-3086
  • 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 2535-3086 available by request