D331-0342 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine

D331-0342 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
D331-0342 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0342
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1-(naphthalene-2-sulfonyl)-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

D331-0342

Molecular Formula

C24H20N4O4S (C24 H20 N4 O4 S)

Compound Name

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

IUPAC name

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1-(naphthalene-2-sulfonyl)-1H-124-triazol-5-amine

SMILES

COc1c(CNc2nc(-c3ccco3)nn2S(c2cc3ccccc3cc2)(=O)=O)cccc1

InChI

InChI=1S/C24H20N4O4S/c1-31-21-10-5-4-9-19(21)16-25-24-26-23(22-11-6-14-32-22)27-28(24)33(29,30)20-13-12-17-7-2-3-8-18(17)15-20/h2-15H,16H2,1H3,(H,25,26,27)

InChI Key

CGULGGMQNSSUQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-5.16

Polar Surface Area

78.171

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D331-0342 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0342?
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What is the minimum amount of D331-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0342
  • 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 D331-0342 available by request