D481-1746 Screening compound: 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one

D481-1746 Screening compound: 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one
D481-1746 Screening compound: 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1746
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one

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

D481-1746

Molecular Formula

C12H14N4O (C12 H14 N4 O)

Compound Name

1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one

IUPAC name

1-(5-amino-3-phenyl-1H-124-triazol-1-yl)butan-1-one

SMILES

CCCC(n1nc(-c2ccccc2)nc1N)=O

InChI

InChI=1S/C12H14N4O/c1-2-6-10(17)16-12(13)14-11(15-16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15)

InChI Key

BZLRZNISTORZEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.28

Polar Surface Area

57.591

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-1746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D481-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1746?
Check Price and Availability of D481-1746, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D481-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1746
  • 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 D481-1746 available by request