C620-0585 Screening compound: 5-[(2-methoxyethyl)amino]-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one

C620-0585 Screening compound: 5-[(2-methoxyethyl)amino]-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one
C620-0585 Screening compound: 5-[(2-methoxyethyl)amino]-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0585
5-[(2-methoxyethyl)amino]-3-(4-phenylpiperazino)-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

C620-0585

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

5-[(2-methoxyethyl)amino]-3-(4-phenylpiperazino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

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

SMILES

COCCNc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2c2ccccc2)c1C3=O

InChI

InChI=1S/C27H26N4O3/c1-33-16-11-28-21-17-22(31-14-12-30(13-15-31)18-7-3-2-4-8-18)25-24-23(21)26(32)19-9-5-6-10-20(19)27(24)34-29-25/h2-10,17,28H,11-16H2,1H3

InChI Key

SKVGYFXAXKPLFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.63

Polar Surface Area

59.585

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C620-0585 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C620-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0585?
Check Price and Availability of C620-0585, 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 C620-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0585
  • 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 C620-0585 available by request