H025-0396C Screening compound: 4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl]piperidine

H025-0396C Screening compound: 4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl]piperidine
H025-0396C Screening compound: 4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0396C
4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl]piperidine

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

H025-0396C

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl]piperidine

IUPAC name

4-[8-methyl-5-(4-methylbenzenesulfonyl)-1H2H3H4H5H-pyrido[43-b]indol-2-yl]piperidine

SMILES

Cc(cc1)ccc1S(n1c(ccc(C)c2)c2c(C2)c1CCN2C1CCNCC1)(=O)=O

InChI

InChI=1S/C24H29N3O2S/c1-17-3-6-20(7-4-17)30(28,29)27-23-8-5-18(2)15-21(23)22-16-26(14-11-24(22)27)19-9-12-25-13-10-19/h3-8,15,19,25H,9-14,16H2,1-2H3

InChI Key

IJGQGLAGBDLVFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.182

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-3.42

Polar Surface Area

42.718

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

H025-0396C in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with H025-0396C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0396C?
Check Price and Availability of H025-0396C, 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 H025-0396C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0396C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0396C
  • 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 H025-0396C available by request