D116-0297 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)butan-1-one

D116-0297 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)butan-1-one
D116-0297 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0297
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-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

D116-0297

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)butan-1-one

IUPAC name

1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-124-triazol-1-yl)butan-1-one

SMILES

CCCC(n1nc(-c2cnccc2)nc1NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C19H21N5O2/c1-3-5-17(25)24-19(21-12-14-7-9-16(26-2)10-8-14)22-18(23-24)15-6-4-11-20-13-15/h4,6-11,13H,3,5,12H2,1-2H3,(H,21,22,23)

InChI Key

GPRVGNYBRCIJBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07393312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.46

Polar Surface Area

66.033

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D116-0297 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 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
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D116-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0297?
Check Price and Availability of D116-0297, 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 D116-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0297
  • 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 D116-0297 available by request