2628-3116 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)prop-2-enamide

2628-3116 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
2628-3116 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3116
(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-(2-methoxy-4-nitrophenyl)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

2628-3116

Molecular Formula

C24H18ClN3O7 (C24 H18 ClN3 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)[N+]([O-])=O)c1NC(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C24H18ClN3O7/c1-33-21-12-15(28(31)32)7-8-18(21)26-24(30)19(27-23(29)16-4-2-3-5-17(16)25)10-14-6-9-20-22(11-14)35-13-34-20/h2-12H,13H2,1H3,(H,26,30)(H,27,29)

InChI Key

AHULNBFLNVFQMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.88

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-4.88

Polar Surface Area

102.684

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2628-3116 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 2628-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3116?
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What is the minimum amount of 2628-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3116
  • 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 2628-3116 available by request