J082-0081 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline

J082-0081 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline
J082-0081 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound J082-0081
2-[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline

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

J082-0081

Molecular Formula

C23H24N4O2 (C23 H24 N4 O2)

Compound Name

2-[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline

IUPAC name

2-[4-(23-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]-3-methoxyquinoxaline

SMILES

COc1nc2ccccc2nc1N(CC1)CCC1C(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C23H24N4O2/c1-29-22-21(24-18-7-3-4-8-19(18)25-22)26-13-10-17(11-14-26)23(28)27-15-12-16-6-2-5-9-20(16)27/h2-9,17H,10-15H2,1H3

InChI Key

VDRSLFYTFWJUKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.29

Polar Surface Area

44.537

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

J082-0081 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J082-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J082-0081?
Check Price and Availability of J082-0081, 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 J082-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J082-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J082-0081
  • 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 J082-0081 available by request