2235-0620 Screening compound: 4-[(E)-2-(2-{[(E)-3-(2-furyl)-2-propenoyl]amino}acetyl)hydrazono]-4-phenylbutanoic acid

2235-0620 Screening compound: 4-[(E)-2-(2-{[(E)-3-(2-furyl)-2-propenoyl]amino}acetyl)hydrazono]-4-phenylbutanoic acid
2235-0620 Screening compound: 4-[(E)-2-(2-{[(E)-3-(2-furyl)-2-propenoyl]amino}acetyl)hydrazono]-4-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2235-0620
4-[(E)-2-(2-{[(E)-3-(2-furyl)-2-propenoyl]amino}acetyl)hydrazono]-4-phenylbutanoic 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

2235-0620

Molecular Formula

C19H19N3O5 (C19 H19 N3 O5)

Compound Name

4-[(E)-2-(2-{[(E)-3-(2-furyl)-2-propenoyl]amino}acetyl)hydrazono]-4-phenylbutanoic acid

IUPAC name

(4E)-4-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-4-phenylbutanoic acid

SMILES

OC(CC/C(/c1ccccc1)=N\NC(CNC(/C=C/c1ccco1)=O)=O)=O

InChI

InChI=1S/C19H19N3O5/c23-17(10-8-15-7-4-12-27-15)20-13-18(24)22-21-16(9-11-19(25)26)14-5-2-1-3-6-14/h1-8,10,12H,9,11,13H2,(H,20,23)(H,22,24)(H,25,26)

InChI Key

DOAHQJJHLMCDTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

-0.646

Water Solubility, LogSw

-2.16

Polar Surface Area

95.544

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

2235-0620 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 2235-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2235-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2235-0620
  • 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 2235-0620 available by request