8011-4804 Screening compound: N~2~-{1-[(2,6-dimethylanilino)carbonyl]cyclopentyl}-N~2~-methyl-2-quinolinecarboxamide

8011-4804 Screening compound: N~2~-{1-[(2,6-dimethylanilino)carbonyl]cyclopentyl}-N~2~-methyl-2-quinolinecarboxamide
8011-4804 Screening compound: N~2~-{1-[(2,6-dimethylanilino)carbonyl]cyclopentyl}-N~2~-methyl-2-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4804
N~2~-{1-[(2,6-dimethylanilino)carbonyl]cyclopentyl}-N~2~-methyl-2-quinolinecarboxamide

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

8011-4804

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

N~2~-{1-[(2,6-dimethylanilino)carbonyl]cyclopentyl}-N~2~-methyl-2-quinolinecarboxamide

IUPAC name

N-{1-[(26-dimethylphenyl)carbamoyl]cyclopentyl}-N-methylquinoline-2-carboxamide

SMILES

Cc1cccc(C)c1NC(C1(CCCC1)N(C)C(c1nc2ccccc2cc1)=O)=O

InChI

InChI=1S/C25H27N3O2/c1-17-9-8-10-18(2)22(17)27-24(30)25(15-6-7-16-25)28(3)23(29)21-14-13-19-11-4-5-12-20(19)26-21/h4-5,8-14H,6-7,15-16H2,1-3H3,(H,27,30)

InChI Key

HUSKVLUIEVVNIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00340050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.57

Polar Surface Area

45.816

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

8011-4804 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8011-4804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4804?
Check Price and Availability of 8011-4804, 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 8011-4804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4804
  • 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 8011-4804 available by request