C620-0385 Screening compound: 5-(ethylamino)-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one

C620-0385 Screening compound: 5-(ethylamino)-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one
C620-0385 Screening compound: 5-(ethylamino)-3-[4-(2-pyridyl)piperazino]-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0385
5-(ethylamino)-3-[4-(2-pyridyl)piperazino]-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

C620-0385

Molecular Formula

C25H23N5O2 (C25 H23 N5 O2)

Compound Name

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

IUPAC name

10-(ethylamino)-12-[4-(pyridin-2-yl)piperazin-1-yl]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

CCNc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2c2ncccc2)c1C3=O

InChI

InChI=1S/C25H23N5O2/c1-2-26-18-15-19(29-11-13-30(14-12-29)20-9-5-6-10-27-20)23-22-21(18)24(31)16-7-3-4-8-17(16)25(22)32-28-23/h3-10,15,26H,2,11-14H2,1H3

InChI Key

OFIGUBCMJWCESG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.19

Polar Surface Area

59.538

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C620-0385 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C620-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0385?
Check Price and Availability of C620-0385, 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 C620-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0385
  • 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 C620-0385 available by request