C620-0168 Screening compound: 3-[4-(2-hydroxyethyl)piperazino]-5-morpholino-6H-anthra[1,9-cd]isoxazol-6-one

C620-0168 Screening compound: 3-[4-(2-hydroxyethyl)piperazino]-5-morpholino-6H-anthra[1,9-cd]isoxazol-6-one
C620-0168 Screening compound: 3-[4-(2-hydroxyethyl)piperazino]-5-morpholino-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0168
3-[4-(2-hydroxyethyl)piperazino]-5-morpholino-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

C620-0168

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

3-[4-(2-hydroxyethyl)piperazino]-5-morpholino-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-[4-(2-hydroxyethyl)piperazin-1-yl]-10-(morpholin-4-yl)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

OCCN(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(N2CCOCC2)c1C3=O

InChI

InChI=1S/C24H26N4O4/c29-12-9-26-5-7-27(8-6-26)19-15-18(28-10-13-31-14-11-28)20-21-22(19)25-32-24(21)17-4-2-1-3-16(17)23(20)30/h1-4,15,29H,5-14H2

InChI Key

XVSGCKZBEMJNAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.69

Polar Surface Area

69.838

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C620-0168 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C620-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0168?
Check Price and Availability of C620-0168, 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 C620-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0168
  • 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 C620-0168 available by request