D116-0102 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one

D116-0102 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
D116-0102 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0102
1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-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

D116-0102

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

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

IUPAC name

1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-124-triazol-1-yl]-3-methylbutan-1-one

SMILES

CC(C)CC(n1nc(-c2ccco2)nc1NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C19H22N4O3/c1-13(2)11-17(24)23-19(21-18(22-23)16-5-4-10-26-16)20-12-14-6-8-15(25-3)9-7-14/h4-10,13H,11-12H2,1-3H3,(H,20,21,22)

InChI Key

KAHHDGDKAZYZDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

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

3.235

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.46

Polar Surface Area

65.093

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D116-0102 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D116-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0102?
Check Price and Availability of D116-0102, 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 D116-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0102
  • 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 D116-0102 available by request