C517-3406 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropylanilino}acetamide

C517-3406 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropylanilino}acetamide
C517-3406 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropylanilino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-3406
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropylanilino}acetamide

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

C517-3406

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropylanilino}acetamide

IUPAC name

n/a

SMILES

CC(C)c(cc1)ccc1N(CC(Nc(cc1)cc2c1OCCO2)=O)S(c1c(C)[nH]nc1C)(=O)=O

InChI

InChI=1S/C24H28N4O5S/c1-15(2)18-5-8-20(9-6-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-7-10-21-22(13-19)33-12-11-32-21/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,29)(H,26,27)

InChI Key

IDKIFUIWXQDDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.33

Polar Surface Area

94.680

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C517-3406 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

SH2 Library (10483 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-3406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-3406?
Check Price and Availability of C517-3406, 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 C517-3406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-3406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-3406
  • 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 C517-3406 available by request