D578-0078 Screening compound: 3,4-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D578-0078 Screening compound: 3,4-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D578-0078 Screening compound: 3,4-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0078
3,4-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-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

D578-0078

Molecular Formula

C24H29N5O4S (C24 H29 N5 O4 S)

Compound Name

3,4-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

34-dimethoxy-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc2)cc(OC)c2OC)(=O)=O)nc(N2CCCCC2)n1

InChI

InChI=1S/C24H29N5O4S/c1-17-15-23(27-24(25-17)29-13-5-4-6-14-29)26-18-7-9-19(10-8-18)28-34(30,31)20-11-12-21(32-2)22(16-20)33-3/h7-12,15-16,28H,4-6,13-14H2,1-3H3,(H,25,26,27)

InChI Key

VTRIBLXJOUSOPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.34

Polar Surface Area

86.385

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D578-0078 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D578-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0078?
Check Price and Availability of D578-0078, 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 D578-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0078
  • 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 D578-0078 available by request