D578-0245 Screening compound: 2-methoxy-5-methyl-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D578-0245 Screening compound: 2-methoxy-5-methyl-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D578-0245 Screening compound: 2-methoxy-5-methyl-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 D578-0245
2-methoxy-5-methyl-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

D578-0245

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

2-methoxy-5-methyl-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

2-methoxy-5-methyl-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

Cc(cc1)cc(S(Nc(cc2)ccc2Nc2nc(N3CCCCC3)nc(C)c2)(=O)=O)c1OC

InChI

InChI=1S/C24H29N5O3S/c1-17-7-12-21(32-3)22(15-17)33(30,31)28-20-10-8-19(9-11-20)26-23-16-18(2)25-24(27-23)29-13-5-4-6-14-29/h7-12,15-16,28H,4-6,13-14H2,1-3H3,(H,25,26,27)

InChI Key

FFHCPRNPXIDTHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-5.22

Polar Surface Area

78.755

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D578-0245 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D578-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0245?
Check Price and Availability of D578-0245, 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 D578-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0245
  • 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 D578-0245 available by request