2628-3166 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]prop-2-enamide

2628-3166 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]prop-2-enamide
2628-3166 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3166
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]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

2628-3166

Molecular Formula

C23H15Cl2N3O6 (C23 H15 Cl2 N3 O6)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-[(2-chlorophenyl)formamido]prop-2-enamide

SMILES

[O-][N+](c(cc(cc1)NC(/C(/NC(c(cccc2)c2Cl)=O)=C\c(cc2)cc3c2OCO3)=O)c1Cl)=O

InChI

InChI=1S/C23H15Cl2N3O6/c24-16-4-2-1-3-15(16)22(29)27-18(9-13-5-8-20-21(10-13)34-12-33-20)23(30)26-14-6-7-17(25)19(11-14)28(31)32/h1-11H,12H2,(H,26,30)(H,27,29)

InChI Key

WIABXWRYZWPBRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.29

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

4.902

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-5.09

Polar Surface Area

95.450

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2628-3166 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 2628-3166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3166?
Check Price and Availability of 2628-3166, 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 2628-3166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3166
  • 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 2628-3166 available by request