H025-0473C Screening compound: 2,9-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

H025-0473C Screening compound: 2,9-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole
H025-0473C Screening compound: 2,9-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0473C
2,9-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H,2H,3H,4H,5H,6H-azepino[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

H025-0473C

Molecular Formula

C21H21F3N2O2S (C21 H21 F3 N2 O2 S)

Compound Name

2,9-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indole

IUPAC name

29-dimethyl-6-[3-(trifluoromethyl)benzenesulfonyl]-1H2H3H4H5H6H-azepino[43-b]indole

SMILES

Cc(cc1)cc(c2c3CCCN(C)C2)c1n3S(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C21H21F3N2O2S/c1-14-8-9-20-17(11-14)18-13-25(2)10-4-7-19(18)26(20)29(27,28)16-6-3-5-15(12-16)21(22,23)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3

InChI Key

PEIZTUXPWGZOKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214621

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.749

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-4.67

Polar Surface Area

31.472

Acid Dissociation Constant (pKa)

26.52

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

H025-0473C in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-0473C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0473C?
Check Price and Availability of H025-0473C, 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 H025-0473C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0473C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0473C
  • 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 H025-0473C available by request