H025-0249B Screening compound: 8-fluoro-2-methyl-5-(2-phenylethynyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

H025-0249B Screening compound: 8-fluoro-2-methyl-5-(2-phenylethynyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole
H025-0249B Screening compound: 8-fluoro-2-methyl-5-(2-phenylethynyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0249B
8-fluoro-2-methyl-5-(2-phenylethynyl)-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

H025-0249B

Molecular Formula

C20H17FN2 (C20 H17 FN2)

Compound Name

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

IUPAC name

8-fluoro-2-methyl-5-(2-phenylethynyl)-1H2H3H4H5H-pyrido[43-b]indole

SMILES

CN(CC1)Cc(c2c3ccc(F)c2)c1n3C#Cc1ccccc1

InChI

InChI=1S/C20H17FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-8,13H,10-11,14H2,1H3

InChI Key

HPKCQBHVECXYDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.36

Polar Surface Area

4.591

Acid Dissociation Constant (pKa)

28.19

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

H025-0249B in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with H025-0249B chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0249B?
Check Price and Availability of H025-0249B, 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 H025-0249B you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0249B
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0249B
  • 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 H025-0249B available by request