H025-0424 Screening compound: 2-(2-{8-METHYL-2-[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-5-YL}ETHYL)PYRIDINE

H025-0424 Screening compound: 2-(2-{8-METHYL-2-[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-5-YL}ETHYL)PYRIDINE
H025-0424 Screening compound: 2-(2-{8-METHYL-2-[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-5-YL}ETHYL)PYRIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0424
2-(2-{8-METHYL-2-[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-5-YL}ETHYL)PYRIDINE

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

H025-0424

Molecular Formula

C31H36N4O2S (C31 H36 N4 O2 S)

Compound Name

2-(2-{8-METHYL-2-[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-5-YL}ETHYL)PYRIDINE

IUPAC name

2-(2-{8-methyl-2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-1H2H3H4H5H-pyrido[43-b]indol-5-yl}ethyl)pyridine

SMILES

Cc(cc1)ccc1S(N(CC1)CCC1N(CC1)Cc2c1n(CCc1ncccc1)c1c2cc(C)cc1)(=O)=O

InChI

InChI=1S/C31H36N4O2S/c1-23-6-9-27(10-7-23)38(36,37)34-18-13-26(14-19-34)33-17-15-31-29(22-33)28-21-24(2)8-11-30(28)35(31)20-12-25-5-3-4-16-32-25/h3-11,16,21,26H,12-15,17-20,22H2,1-2H3

InChI Key

YQONACAAYQKUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-5.68

Polar Surface Area

45.411

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

11.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

H025-0424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with H025-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0424?
Check Price and Availability of H025-0424, 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 H025-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0424
  • 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 H025-0424 available by request