H025-0221C Screening compound: 5-(2-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}ethyl)-2-methylpyridine

H025-0221C Screening compound: 5-(2-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}ethyl)-2-methylpyridine
H025-0221C Screening compound: 5-(2-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}ethyl)-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0221C
5-(2-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}ethyl)-2-methylpyridine

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

H025-0221C

Molecular Formula

C21H24FN3 (C21 H24 FN3)

Compound Name

5-(2-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}ethyl)-2-methylpyridine

IUPAC name

5-(2-{9-fluoro-2-methyl-1H2H3H4H5H6H-azepino[43-b]indol-6-yl}ethyl)-2-methylpyridine

SMILES

Cc1ncc(CCn2c(ccc(F)c3)c3c3c2CCCN(C)C3)cc1

InChI

InChI=1S/C21H24FN3/c1-15-5-6-16(13-23-15)9-11-25-20-4-3-10-24(2)14-19(20)18-12-17(22)7-8-21(18)25/h5-8,12-13H,3-4,9-11,14H2,1-2H3

InChI Key

ZJYMYNTZHZVLCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214520

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

-1.566

Water Solubility, LogSw

-3.16

Polar Surface Area

14.008

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

12.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

H025-0221C in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with H025-0221C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0221C?
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What is the minimum amount of H025-0221C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0221C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0221C
  • 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 H025-0221C available by request