D116-0139 Screening compound: N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

D116-0139 Screening compound: N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
D116-0139 Screening compound: N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0139
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-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

D116-0139

Molecular Formula

C23H21ClN4O5 (C23 H21 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(n2nc(-c3ccco3)nc2NCc(cc2)ccc2Cl)=O)cc(OC)c1OC

InChI

InChI=1S/C23H21ClN4O5/c1-30-18-11-15(12-19(31-2)20(18)32-3)22(29)28-23(25-13-14-6-8-16(24)9-7-14)26-21(27-28)17-5-4-10-33-17/h4-12H,13H2,1-3H3,(H,25,26,27)

InChI Key

QHIDTZZUDBBFLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10476628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.31

Polar Surface Area

80.783

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D116-0139 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 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
  • 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 D116-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0139?
Check Price and Availability of D116-0139, 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 D116-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0139
  • 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 D116-0139 available by request