C090-0130 Screening compound: 3-(4-cyclohexylpiperazino)-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

C090-0130 Screening compound: 3-(4-cyclohexylpiperazino)-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one
C090-0130 Screening compound: 3-(4-cyclohexylpiperazino)-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0130
3-(4-cyclohexylpiperazino)-5-(4-methoxyanilino)-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

C090-0130

Molecular Formula

C31H32N4O3 (C31 H32 N4 O3)

Compound Name

3-(4-cyclohexylpiperazino)-5-(4-methoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

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

SMILES

COc(cc1)ccc1Nc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCN2C2CCCCC2)c1C3=O

InChI

InChI=1S/C31H32N4O3/c1-37-22-13-11-20(12-14-22)32-25-19-26(35-17-15-34(16-18-35)21-7-3-2-4-8-21)29-28-27(25)30(36)23-9-5-6-10-24(23)31(28)38-33-29/h5-6,9-14,19,21,32H,2-4,7-8,15-18H2,1H3

InChI Key

WKVRUHVHOCSAIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.343

Distribution Coefficient, logD

6.950

Water Solubility, LogSw

-5.96

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

C090-0130 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C090-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0130?
Check Price and Availability of C090-0130, 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 C090-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0130
  • 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 C090-0130 available by request