D331-0048 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-1-one

D331-0048 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-1-one
D331-0048 Screening compound: 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0048
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-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

D331-0048

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-1-one

IUPAC name

1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-124-triazol-1-yl]-2-(naphthalen-2-yloxy)ethan-1-one

SMILES

Cc1ccc(CNc2nc(-c3ccco3)nn2C(COc2cc3ccccc3cc2)=O)cc1

InChI

InChI=1S/C26H22N4O3/c1-18-8-10-19(11-9-18)16-27-26-28-25(23-7-4-14-32-23)29-30(26)24(31)17-33-22-13-12-20-5-2-3-6-21(20)15-22/h2-15H,16-17H2,1H3,(H,27,28,29)

InChI Key

BRVSBCKKFLXMTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

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

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-5.23

Polar Surface Area

64.506

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D331-0048 in Drug Discovery

Included in Screening Libraries

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
  • 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 D331-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0048?
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What is the minimum amount of D331-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0048
  • 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 D331-0048 available by request