1906-0052 Screening compound: 4,5-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-3-carbonitrile

1906-0052 Screening compound: 4,5-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-3-carbonitrile
1906-0052 Screening compound: 4,5-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1906-0052
4,5-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-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

1906-0052

Molecular Formula

C26H19N3O5 (C26 H19 N3 O5)

Compound Name

4,5-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-3-carbonitrile

IUPAC name

45-bis(4-methoxyphenyl)-2-[(E)-[(3-nitrophenyl)methylidene]amino]furan-3-carbonitrile

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc(/N=C/c2cccc([N+]([O-])=O)c2)c1C#N

InChI

InChI=1S/C26H19N3O5/c1-32-21-10-6-18(7-11-21)24-23(15-27)26(28-16-17-4-3-5-20(14-17)29(30)31)34-25(24)19-8-12-22(33-2)13-9-19/h3-14,16H,1-2H3

InChI Key

DGZYCCHHTBIVIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.831

Distribution Coefficient, logD

5.830

Water Solubility, LogSw

-5.79

Polar Surface Area

82.533

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1906-0052 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1906-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1906-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1906-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1906-0052
  • 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 1906-0052 available by request