F612-0953 Screening compound: 4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline

F612-0953 Screening compound: 4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline
F612-0953 Screening compound: 4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F612-0953
4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline

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

F612-0953

Molecular Formula

C28H30N4O (C28 H30 N4 O)

Compound Name

4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline

IUPAC name

4-(azepane-1-carbonyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]quinoline

SMILES

Cc(n(-c1ccc(C)cc1)nc1)c1-c1nc2ccc(C)cc2c(C(N2CCCCCC2)=O)c1

InChI

InChI=1S/C28H30N4O/c1-19-8-11-22(12-9-19)32-21(3)25(18-29-32)27-17-24(23-16-20(2)10-13-26(23)30-27)28(33)31-14-6-4-5-7-15-31/h8-13,16-18H,4-7,14-15H2,1-3H3

InChI Key

GXQIZFSBTJXNDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.500

Distribution Coefficient, logD

6.500

Water Solubility, LogSw

-5.47

Polar Surface Area

39.342

Acid Dissociation Constant (pKa)

26.60

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

F612-0953 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F612-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F612-0953?
Check Price and Availability of F612-0953, 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 F612-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F612-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F612-0953
  • 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 F612-0953 available by request