H025-0425 Screening compound: 8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

H025-0425 Screening compound: 8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole
H025-0425 Screening compound: 8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0425
8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

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

H025-0425

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

IUPAC name

8-methyl-2-(4-methylbenzenesulfonyl)-5-(2-phenylethyl)-1H2H3H4H5H-pyrido[43-b]indole

SMILES

Cc(cc1)ccc1S(N(CC1)Cc2c1n(CCc1ccccc1)c1c2cc(C)cc1)(=O)=O

InChI

InChI=1S/C27H28N2O2S/c1-20-8-11-23(12-9-20)32(30,31)28-16-15-27-25(19-28)24-18-21(2)10-13-26(24)29(27)17-14-22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3

InChI Key

LTTXAAGQFIYZOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.333

Distribution Coefficient, logD

6.333

Water Solubility, LogSw

-5.72

Polar Surface Area

32.775

Acid Dissociation Constant (pKa)

25.34

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

H025-0425 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 H025-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0425?
Check Price and Availability of H025-0425, 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 H025-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0425
  • 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 H025-0425 available by request