1935-0104 Screening compound: 2-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile

1935-0104 Screening compound: 2-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile
1935-0104 Screening compound: 2-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1935-0104
2-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile

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

1935-0104

Molecular Formula

C14H12N2O3 (C14 H12 N2 O3)

Compound Name

2-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile

IUPAC name

2-[(E)-[(24-dihydroxyphenyl)methylidene]amino]-45-dimethylfuran-3-carbonitrile

SMILES

Cc1c(C)oc(/N=C/c(ccc(O)c2)c2O)c1C#N

InChI

InChI=1S/C14H12N2O3/c1-8-9(2)19-14(12(8)6-15)16-7-10-3-4-11(17)5-13(10)18/h3-5,7,17-18H,1-2H3

InChI Key

GLNBXMSBVDXZQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00816066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-2.14

Polar Surface Area

68.194

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1935-0104 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1935-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1935-0104?
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What is the minimum amount of 1935-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1935-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1935-0104
  • 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 1935-0104 available by request