K786-5141 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

K786-5141 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
K786-5141 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5141
N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

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

K786-5141

Molecular Formula

C30H40N4O4S (C30 H40 N4 O4 S)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-6-[(2-methylpiperidin-1-yl)sulfonyl]-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

CCCCN(CCCNC(C(c(cc(cc1)S(N2C(C)CCCC2)(=O)=O)c1N1)=CC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C30H40N4O4S/c1-3-4-17-33(22-24-12-6-5-7-13-24)18-10-16-31-30(36)27-21-29(35)32-28-15-14-25(20-26(27)28)39(37,38)34-19-9-8-11-23(34)2/h5-7,12-15,20-21,23H,3-4,8-11,16-19,22H2,1-2H3,(H,31,36)(H,32,35)/t23-/m0/s1

InChI Key

MQYCNGIOVPQSAK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15101203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-3.93

Polar Surface Area

85.027

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

K786-5141 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K786-5141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5141?
Check Price and Availability of K786-5141, 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 K786-5141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5141
  • 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 K786-5141 available by request