3379-2313 Screening compound: methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate

3379-2313 Screening compound: methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]prop-2-enamido]benzoate
3379-2313 Screening compound: methyl 3-[(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 3379-2313
methyl 3-[(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

3379-2313

Molecular Formula

C23H17BrN2O7 (C23 H17 BrN2 O7)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(/C(/NC(c(o2)ccc2Br)=O)=C\c(cc2)cc3c2OCO3)=O)c1)=O

InChI

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

InChI Key

VTZCCXGJAZBSQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927700

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

4.581

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.52

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

3379-2313 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 3379-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2313?
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What is the minimum amount of 3379-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2313
  • 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 3379-2313 available by request