C620-0120 Screening compound: 3-(1-azepanyl)-5-{[2-(3,5-dimethylpiperidino)ethyl]amino}-6H-anthra[1,9-cd]isoxazol-6-one

C620-0120 Screening compound: 3-(1-azepanyl)-5-{[2-(3,5-dimethylpiperidino)ethyl]amino}-6H-anthra[1,9-cd]isoxazol-6-one
C620-0120 Screening compound: 3-(1-azepanyl)-5-{[2-(3,5-dimethylpiperidino)ethyl]amino}-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0120
3-(1-azepanyl)-5-{[2-(3,5-dimethylpiperidino)ethyl]amino}-6H-anthra[1,9-cd]isoxazol-6-one

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

C620-0120

Molecular Formula

C29H36N4O2 (C29 H36 N4 O2)

Compound Name

3-(1-azepanyl)-5-{[2-(3,5-dimethylpiperidino)ethyl]amino}-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-(azepan-1-yl)-10-{[2-(35-dimethylpiperidin-1-yl)ethyl]amino}-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

CC1CN(CCNc(cc(c2noc(-c3c4cccc3)c22)N3CCCCCC3)c2C4=O)CC(C)C1

InChI

InChI=1S/C29H36N4O2/c1-19-15-20(2)18-32(17-19)14-11-30-23-16-24(33-12-7-3-4-8-13-33)27-26-25(23)28(34)21-9-5-6-10-22(21)29(26)35-31-27/h5-6,9-10,16,19-20,30H,3-4,7-8,11-15,17-18H2,1-2H3

InChI Key

ICACSFAJLUEXLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.780

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.90

Polar Surface Area

51.891

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.70

C620-0120 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C620-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0120?
Check Price and Availability of C620-0120, 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 C620-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0120
  • 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 C620-0120 available by request