3379-2240 Screening compound: 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid

3379-2240 Screening compound: 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid
3379-2240 Screening compound: 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2240
3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid

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

3379-2240

Molecular Formula

C24H17BrN2O6 (C24 H17 BrN2 O6)

Compound Name

3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid

IUPAC name

3-[(2E)-3-(2H-13-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]prop-2-enamido]benzoic acid

SMILES

OC(c1cccc(NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C24H17BrN2O6/c25-17-7-5-15(6-8-17)22(28)27-19(10-14-4-9-20-21(11-14)33-13-32-20)23(29)26-18-3-1-2-16(12-18)24(30)31/h1-12H,13H2,(H,26,29)(H,27,28)(H,30,31)

InChI Key

CFOTZDPHOSPKKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-5.24

Polar Surface Area

90.778

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3379-2240 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-2240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2240?
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What is the minimum amount of 3379-2240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2240
  • 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 3379-2240 available by request