C620-0255 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one

C620-0255 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
C620-0255 Screening compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0255
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-(cyclohexylamino)-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

C620-0255

Molecular Formula

C32H32N4O4 (C32 H32 N4 O4)

Compound Name

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-10-(cyclohexylamino)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

O=C(c(cccc1)c1-c1c2c(c(N3CCN(Cc(cc4)cc5c4OCO5)CC3)c3)no1)c2c3NC1CCCCC1

InChI

InChI=1S/C32H32N4O4/c37-31-22-8-4-5-9-23(22)32-29-28(31)24(33-21-6-2-1-3-7-21)17-25(30(29)34-40-32)36-14-12-35(13-15-36)18-20-10-11-26-27(16-20)39-19-38-26/h4-5,8-11,16-17,21,33H,1-3,6-7,12-15,18-19H2

InChI Key

UWKNBJNALSTTBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.729

Distribution Coefficient, logD

6.281

Water Solubility, LogSw

-6.27

Polar Surface Area

68.250

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C620-0255 in Drug Discovery

Included in Screening Libraries

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

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 C620-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0255?
Check Price and Availability of C620-0255, 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 C620-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0255
  • 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 C620-0255 available by request