2628-3124 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-[4-(pentyloxy)phenyl]prop-2-enamide

2628-3124 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-[4-(pentyloxy)phenyl]prop-2-enamide
2628-3124 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-[4-(pentyloxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2628-3124
(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)formamido]-N-[4-(pentyloxy)phenyl]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

2628-3124

Molecular Formula

C28H27ClN2O5 (C28 H27 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCCOc(cc1)ccc1NC(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C28H27ClN2O5/c1-2-3-6-15-34-21-12-10-20(11-13-21)30-28(33)24(31-27(32)22-7-4-5-8-23(22)29)16-19-9-14-25-26(17-19)36-18-35-25/h4-5,7-14,16-17H,2-3,6,15,18H2,1H3,(H,30,33)(H,31,32)

InChI Key

ABTSLEGCXXUZFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.610

Distribution Coefficient, logD

6.251

Water Solubility, LogSw

-6.12

Polar Surface Area

69.787

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2628-3124 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2628-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2628-3124?
Check Price and Availability of 2628-3124, 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 2628-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2628-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2628-3124
  • 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 2628-3124 available by request