3379-2203 Screening compound: methyl 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate

3379-2203 Screening compound: methyl 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate
3379-2203 Screening compound: methyl 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2203
methyl 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate

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

3379-2203

Molecular Formula

C23H17BrN2O7 (C23 H17 BrN2 O7)

Compound Name

methyl 4-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2E)-3-(2H-13-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate

SMILES

COC(c(cc1)ccc1NC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C23H17BrN2O7/c1-30-23(29)14-3-5-15(6-4-14)25-21(27)16(26-22(28)18-8-9-20(24)33-18)10-13-2-7-17-19(11-13)32-12-31-17/h2-11H,12H2,1H3,(H,25,27)(H,26,28)

InChI Key

OYLHUKBFFCLMRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.45

Polar Surface Area

92.469

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3379-2203 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 3379-2203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2203?
Check Price and Availability of 3379-2203, 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 3379-2203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2203
  • 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 3379-2203 available by request