H025-0222C Screening compound: 5-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}pyrimidine

H025-0222C Screening compound: 5-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}pyrimidine
H025-0222C Screening compound: 5-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0222C
5-{9-fluoro-2-methyl-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-6-yl}pyrimidine

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

H025-0222C

Molecular Formula

C17H17FN4 (C17 H17 FN4)

Compound Name

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

IUPAC name

5-{9-fluoro-2-methyl-1H2H3H4H5H6H-azepino[43-b]indol-6-yl}pyrimidine

SMILES

CN(CCC1)Cc(c2c3ccc(F)c2)c1n3-c1cncnc1

InChI

InChI=1S/C17H17FN4/c1-21-6-2-3-16-15(10-21)14-7-12(18)4-5-17(14)22(16)13-8-19-11-20-9-13/h4-5,7-9,11H,2-3,6,10H2,1H3

InChI Key

VDXLRJXTIDWKNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214521

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

-0.296

Water Solubility, LogSw

-2.15

Polar Surface Area

26.579

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

H025-0222C in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with H025-0222C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0222C?
Check Price and Availability of H025-0222C, 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 H025-0222C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0222C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0222C
  • 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 H025-0222C available by request