C620-0656 Screening compound: 5-(2,5-dimethylanilino)-3-(4-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one

C620-0656 Screening compound: 5-(2,5-dimethylanilino)-3-(4-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one
C620-0656 Screening compound: 5-(2,5-dimethylanilino)-3-(4-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C620-0656
5-(2,5-dimethylanilino)-3-(4-methylpiperidino)-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

C620-0656

Molecular Formula

C28H27N3O2 (C28 H27 N3 O2)

Compound Name

5-(2,5-dimethylanilino)-3-(4-methylpiperidino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

10-[(25-dimethylphenyl)amino]-12-(4-methylpiperidin-1-yl)-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-8-one

SMILES

CC(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(Nc2c(C)ccc(C)c2)c1C3=O

InChI

InChI=1S/C28H27N3O2/c1-16-10-12-31(13-11-16)23-15-22(29-21-14-17(2)8-9-18(21)3)24-25-26(23)30-33-28(25)20-7-5-4-6-19(20)27(24)32/h4-9,14-16,29H,10-13H2,1-3H3

InChI Key

DBMDXCVNPSZIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.282

Distribution Coefficient, logD

7.282

Water Solubility, LogSw

-5.99

Polar Surface Area

45.849

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C620-0656 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C620-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C620-0656?
Check Price and Availability of C620-0656, 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 C620-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C620-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C620-0656
  • 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 C620-0656 available by request