D116-0105 Screening compound: 3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

D116-0105 Screening compound: 3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
D116-0105 Screening compound: 3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0105
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-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

D116-0105

Molecular Formula

C24H24N4O6 (C24 H24 N4 O6)

Compound Name

3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1-(345-trimethoxybenzoyl)-1H-124-triazol-5-amine

SMILES

COc1ccc(CNc2nc(-c3ccco3)nn2C(c(cc2OC)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C24H24N4O6/c1-30-17-9-7-15(8-10-17)14-25-24-26-22(18-6-5-11-34-18)27-28(24)23(29)16-12-19(31-2)21(33-4)20(13-16)32-3/h5-13H,14H2,1-4H3,(H,25,26,27)

InChI Key

WHHFPXXJTRNGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10476626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.38

Polar Surface Area

88.327

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D116-0105 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 D116-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0105?
Check Price and Availability of D116-0105, 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 D116-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0105
  • 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 D116-0105 available by request