3802-0707 Screening compound: 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)formamido]prop-2-enamido]benzoic acid

3802-0707 Screening compound: 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)formamido]prop-2-enamido]benzoic acid
3802-0707 Screening compound: 4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)formamido]prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0707
4-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3-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

3802-0707

Molecular Formula

C24H17BrN2O6 (C24 H17 BrN2 O6)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1NC(/C(/NC(c1cccc(Br)c1)=O)=C/c(cc1)cc2c1OCO2)=O)=O

InChI

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

InChI Key

QXSCOGWIENIIBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015986

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

4.869

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-4.62

Polar Surface Area

90.778

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3802-0707 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3802-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0707?
Check Price and Availability of 3802-0707, 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 3802-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0707
  • 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 3802-0707 available by request