3379-2172 Screening compound: methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoate

3379-2172 Screening compound: methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoate
3379-2172 Screening compound: methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2172
methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-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

3379-2172

Molecular Formula

C20H16N2O6 (C20 H16 N2 O6)

Compound Name

methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoate

IUPAC name

methyl 4-[(2E)-3-(furan-2-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]benzoate

SMILES

COC(c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c1ccco1)=O)=O

InChI

InChI=1S/C20H16N2O6/c1-26-20(25)13-6-8-14(9-7-13)21-18(23)16(12-15-4-2-10-27-15)22-19(24)17-5-3-11-28-17/h2-12H,1H3,(H,21,23)(H,22,24)

InChI Key

ZZXIDHMSKXUNNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.60

Polar Surface Area

82.755

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3379-2172 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 3379-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2172?
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What is the minimum amount of 3379-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2172
  • 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 3379-2172 available by request