8014-1991 Screening compound: 2-cyclohexyl-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

8014-1991 Screening compound: 2-cyclohexyl-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione
8014-1991 Screening compound: 2-cyclohexyl-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1991
2-cyclohexyl-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

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

8014-1991

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

2-cyclohexyl-1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

IUPAC name

2-cyclohexyl-1H2H3H-pyrrolo[34-c]pyridine-13-dione

SMILES

O=C(c1c2cncc1)N(C1CCCCC1)C2=O

InChI

InChI=1S/C13H14N2O2/c16-12-10-6-7-14-8-11(10)13(17)15(12)9-4-2-1-3-5-9/h6-9H,1-5H2

InChI Key

NRFVKFHVODKZOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.24

Polar Surface Area

38.231

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8014-1991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1991?
Check Price and Availability of 8014-1991, 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 8014-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1991
  • 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 8014-1991 available by request