D331-0224 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

D331-0224 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
D331-0224 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0224
1-(4-chlorobenzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-yl)-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

D331-0224

Molecular Formula

C21H19ClN4O5S (C21 H19 ClN4 O5 S)

Compound Name

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

IUPAC name

1-(4-chlorobenzenesulfonyl)-N-[(34-dimethoxyphenyl)methyl]-3-(furan-2-yl)-1H-124-triazol-5-amine

SMILES

COc(ccc(CNc1nc(-c2ccco2)nn1S(c(cc1)ccc1Cl)(=O)=O)c1)c1OC

InChI

InChI=1S/C21H19ClN4O5S/c1-29-17-10-5-14(12-19(17)30-2)13-23-21-24-20(18-4-3-11-31-18)25-26(21)32(27,28)16-8-6-15(22)7-9-16/h3-12H,13H2,1-2H3,(H,23,24,25)

InChI Key

HCSGGGIFQQPOAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.96

Polar Surface Area

86.073

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D331-0224 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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:
  • Immune system
  • 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 D331-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0224?
Check Price and Availability of D331-0224, 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 D331-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0224
  • 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 D331-0224 available by request