C066-4868 Screening compound: 2-CYCLOHEXYL-N-{3-[CYCLOHEXYL(METHYL)AMINO]PROPYL}-3-OXO-1H,2H,3H-PYRROLO[3,4-B]QUINOLINE-9-CARBOXAMIDE

C066-4868 Screening compound: 2-CYCLOHEXYL-N-{3-[CYCLOHEXYL(METHYL)AMINO]PROPYL}-3-OXO-1H,2H,3H-PYRROLO[3,4-B]QUINOLINE-9-CARBOXAMIDE
C066-4868 Screening compound: 2-CYCLOHEXYL-N-{3-[CYCLOHEXYL(METHYL)AMINO]PROPYL}-3-OXO-1H,2H,3H-PYRROLO[3,4-B]QUINOLINE-9-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4868
2-CYCLOHEXYL-N-{3-[CYCLOHEXYL(METHYL)AMINO]PROPYL}-3-OXO-1H,2H,3H-PYRROLO[3,4-B]QUINOLINE-9-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

C066-4868

Molecular Formula

C28H38N4O2 (C28 H38 N4 O2)

Compound Name

2-CYCLOHEXYL-N-{3-[CYCLOHEXYL(METHYL)AMINO]PROPYL}-3-OXO-1H,2H,3H-PYRROLO[3,4-B]QUINOLINE-9-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(CCCNC(c1c(CN(C2CCCCC2)C2=O)c2nc2ccccc12)=O)C1CCCCC1

InChI

InChI=1S/C28H38N4O2/c1-31(20-11-4-2-5-12-20)18-10-17-29-27(33)25-22-15-8-9-16-24(22)30-26-23(25)19-32(28(26)34)21-13-6-3-7-14-21/h8-9,15-16,20-21H,2-7,10-14,17-19H2,1H3,(H,29,33)

InChI Key

YJQLKZDPUWCGPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-4.27

Polar Surface Area

52.757

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.70

C066-4868 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C066-4868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4868?
Check Price and Availability of C066-4868, 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 C066-4868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4868
  • 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 C066-4868 available by request