6485-2800 Screening compound: 2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline

6485-2800 Screening compound: 2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
6485-2800 Screening compound: 2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6485-2800
2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline

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

6485-2800

Molecular Formula

C21H24FN3O2 (C21 H24 FN3 O2)

Compound Name

2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(azepan-1-yl)-2-fluoro-4-nitrophenyl]-1234-tetrahydroisoquinoline

SMILES

[O-][N+](c(c(N1CCCCCC1)c1)cc(F)c1N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C21H24FN3O2/c22-18-13-21(25(26)27)20(23-10-5-1-2-6-11-23)14-19(18)24-12-9-16-7-3-4-8-17(16)15-24/h3-4,7-8,13-14H,1-2,5-6,9-12,15H2

InChI Key

OZHNVERRTIXQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.47

Polar Surface Area

39.615

Acid Dissociation Constant (pKa)

24.70

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6485-2800 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6485-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6485-2800?
Check Price and Availability of 6485-2800, 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 6485-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6485-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6485-2800
  • 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 6485-2800 available by request