K751-0012 Screening compound: 1-azepanyl{6-[(4-methylpiperidino)sulfonyl]-2-phenyl-4-quinolyl}methanone

K751-0012 Screening compound: 1-azepanyl{6-[(4-methylpiperidino)sulfonyl]-2-phenyl-4-quinolyl}methanone
K751-0012 Screening compound: 1-azepanyl{6-[(4-methylpiperidino)sulfonyl]-2-phenyl-4-quinolyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K751-0012
1-azepanyl{6-[(4-methylpiperidino)sulfonyl]-2-phenyl-4-quinolyl}methanone

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

K751-0012

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

1-azepanyl{6-[(4-methylpiperidino)sulfonyl]-2-phenyl-4-quinolyl}methanone

IUPAC name

4-(azepane-1-carbonyl)-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-phenylquinoline

SMILES

CC(CC1)CCN1S(c(ccc1nc(-c2ccccc2)c2)cc1c2C(N1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C28H33N3O3S/c1-21-13-17-31(18-14-21)35(33,34)23-11-12-26-24(19-23)25(28(32)30-15-7-2-3-8-16-30)20-27(29-26)22-9-5-4-6-10-22/h4-6,9-12,19-21H,2-3,7-8,13-18H2,1H3

InChI Key

FXFKJQYCSPQCAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.998

Water Solubility, LogSw

-5.57

Polar Surface Area

56.988

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

K751-0012 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K751-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K751-0012?
Check Price and Availability of K751-0012, 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 K751-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K751-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K751-0012
  • 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 K751-0012 available by request