3379-2310 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]benzoate

3379-2310 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]benzoate
3379-2310 Screening compound: methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2310
methyl 3-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-(4-methoxyphenyl)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

3379-2310

Molecular Formula

C23H19BrN2O6 (C23 H19 BrN2 O6)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(/C(/NC(c(o2)ccc2Br)=O)=C\c(cc2)ccc2OC)=O)c1)=O

InChI

InChI=1S/C23H19BrN2O6/c1-30-17-8-6-14(7-9-17)12-18(26-22(28)19-10-11-20(24)32-19)21(27)25-16-5-3-4-15(13-16)23(29)31-2/h3-13H,1-2H3,(H,25,27)(H,26,28)

InChI Key

ABUDAZLGATVUHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.58

Polar Surface Area

82.898

Acid Dissociation Constant (pKa)

6.54

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3379-2310 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-2310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2310?
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What is the minimum amount of 3379-2310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2310
  • 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 3379-2310 available by request