8016-9159 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone

8016-9159 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone
8016-9159 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9159
[5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone

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

8016-9159

Molecular Formula

C14H10ClN5O (C14 H10 ClN5 O)

Compound Name

[5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone

IUPAC name

1-(4-chlorobenzoyl)-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

Nc1nc(-c2cnccc2)nn1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)

InChI Key

ZAFULIRXGRRKIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04373321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-2.30

Polar Surface Area

67.365

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8016-9159 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9159?
Check Price and Availability of 8016-9159, 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 8016-9159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9159
  • 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 8016-9159 available by request