C780-2605 Screening compound: N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C780-2605 Screening compound: N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
C780-2605 Screening compound: N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C780-2605
N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-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

C780-2605

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

IUPAC name

N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxamide

SMILES

CC1CN(CCCNC(c(cc2)cc(N3)c2N(CCC2)C2C3=O)=O)CCC1

InChI

InChI=1S/C21H30N4O2/c1-15-5-2-10-24(14-15)11-4-9-22-20(26)16-7-8-18-17(13-16)23-21(27)19-6-3-12-25(18)19/h7-8,13,15,19H,2-6,9-12,14H2,1H3,(H,22,26)(H,23,27)

InChI Key

RHYXTUBGCPPJLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.858

Distribution Coefficient, logD

-0.714

Water Solubility, LogSw

-2.39

Polar Surface Area

56.103

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

C780-2605 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C780-2605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C780-2605?
Check Price and Availability of C780-2605, 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 C780-2605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C780-2605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C780-2605
  • 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 C780-2605 available by request