C708-0486 Screening compound: 2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinoline-11-carboxylic acid

C708-0486 Screening compound: 2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinoline-11-carboxylic acid
C708-0486 Screening compound: 2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinoline-11-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C708-0486
2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinoline-11-carboxylic acid

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

C708-0486

Molecular Formula

C26H35N3O5S (C26 H35 N3 O5 S)

Compound Name

2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinoline-11-carboxylic acid

IUPAC name

2-({4-[(3-methylbutyl)carbamoyl]piperidin-1-yl}sulfonyl)-6H7H8H9H10H-cyclohepta[b]quinoline-11-carboxylic acid

SMILES

CC(C)CCNC(C(CC1)CCN1S(c1cc2c(C(O)=O)c(CCCCC3)c3nc2cc1)(=O)=O)=O

InChI

InChI=1S/C26H35N3O5S/c1-17(2)10-13-27-25(30)18-11-14-29(15-12-18)35(33,34)19-8-9-23-21(16-19)24(26(31)32)20-6-4-3-5-7-22(20)28-23/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,27,30)(H,31,32)

InChI Key

FMHIZWTXCVHHEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-4.21

Polar Surface Area

94.967

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

C708-0486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C708-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C708-0486?
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What is the minimum amount of C708-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C708-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C708-0486
  • 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 C708-0486 available by request