D578-0017 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[1,1'-biphenyl]-4-sulfonamide

D578-0017 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[1,1'-biphenyl]-4-sulfonamide
D578-0017 Screening compound: N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[1,1'-biphenyl]-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0017
N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[1,1'-biphenyl]-4-sulfonamide

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

D578-0017

Molecular Formula

C25H25N5O2S (C25 H25 N5 O2 S)

Compound Name

N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[1,1'-biphenyl]-4-sulfonamide

IUPAC name

N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-[11'-biphenyl]-4-sulfonamide

SMILES

CCNc1nc(C)cc(Nc(cc2)ccc2NS(c(cc2)ccc2-c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C25H25N5O2S/c1-3-26-25-27-18(2)17-24(29-25)28-21-11-13-22(14-12-21)30-33(31,32)23-15-9-20(10-16-23)19-7-5-4-6-8-19/h4-17,30H,3H2,1-2H3,(H2,26,27,28,29)

InChI Key

LLJZVBRYKJTTJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.759

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-5.68

Polar Surface Area

79.740

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D578-0017 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D578-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0017?
Check Price and Availability of D578-0017, 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 D578-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0017
  • 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 D578-0017 available by request