1286-0250 Screening compound: 4-[(E)-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)methyl]benzoic acid

1286-0250 Screening compound: 4-[(E)-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)methyl]benzoic acid
1286-0250 Screening compound: 4-[(E)-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0250
4-[(E)-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)methyl]benzoic 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

1286-0250

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccc(/C=N/NC(CNC(/C=C/c2ccco2)=O)=O)cc1)=O

InChI

InChI=1S/C17H15N3O5/c21-15(8-7-14-2-1-9-25-14)18-11-16(22)20-19-10-12-3-5-13(6-4-12)17(23)24/h1-10H,11H2,(H,18,21)(H,20,22)(H,23,24)

InChI Key

GKMDJCBZEUQMCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00293326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

-1.480

Water Solubility, LogSw

-2.59

Polar Surface Area

95.969

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1286-0250 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1286-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0250?
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What is the minimum amount of 1286-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0250
  • 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 1286-0250 available by request