D481-1754 Screening compound: 1-(4-methylbenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine

D481-1754 Screening compound: 1-(4-methylbenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
D481-1754 Screening compound: 1-(4-methylbenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1754
1-(4-methylbenzoyl)-3-phenyl-1H-1,2,4-triazol-5-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

D481-1754

Molecular Formula

C16H14N4O (C16 H14 N4 O)

Compound Name

1-(4-methylbenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-methylbenzoyl)-3-phenyl-1H-124-triazol-5-amine

SMILES

Cc(cc1)ccc1C(n1nc(-c2ccccc2)nc1N)=O

InChI

InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)20-16(17)18-14(19-20)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19)

InChI Key

AKTMZDBZUWTLIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04213419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.11

Polar Surface Area

57.847

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D481-1754 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D481-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1754?
Check Price and Availability of D481-1754, 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 D481-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1754
  • 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 D481-1754 available by request