1496-0545 Screening compound: N-[(E)-1-(2-furyl)methylidene]-N-(4H-1,2,4-triazol-4-yl)amine

1496-0545 Screening compound: N-[(E)-1-(2-furyl)methylidene]-N-(4H-1,2,4-triazol-4-yl)amine
1496-0545 Screening compound: N-[(E)-1-(2-furyl)methylidene]-N-(4H-1,2,4-triazol-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1496-0545
N-[(E)-1-(2-furyl)methylidene]-N-(4H-1,2,4-triazol-4-yl)amine

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

1496-0545

Molecular Formula

C7H6N4O (C7 H6 N4 O)

Compound Name

N-[(E)-1-(2-furyl)methylidene]-N-(4H-1,2,4-triazol-4-yl)amine

IUPAC name

(E)-1-(furan-2-yl)-N-(4H-124-triazol-4-yl)methanimine

SMILES

C(c1ccco1)=N/n1cnnc1

InChI

InChI=1S/C7H6N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H

InChI Key

ULWDENLECZLBSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

162.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.073

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-1.02

Polar Surface Area

41.955

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1496-0545 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1496-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1496-0545?
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What is the minimum amount of 1496-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1496-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1496-0545
  • 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 1496-0545 available by request