C090-0102 Screening compound: 3-(4-methylpiperidino)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

C090-0102 Screening compound: 3-(4-methylpiperidino)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one
C090-0102 Screening compound: 3-(4-methylpiperidino)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0102
3-(4-methylpiperidino)-5-(3,4,5-trimethoxyanilino)-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

C090-0102

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

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

IUPAC name

12-(4-methylpiperidin-1-yl)-10-[(345-trimethoxyphenyl)amino]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

CC(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(Nc(cc2OC)cc(OC)c2OC)c1C3=O

InChI

InChI=1S/C29H29N3O5/c1-16-9-11-32(12-10-16)21-15-20(30-17-13-22(34-2)29(36-4)23(14-17)35-3)24-25-26(21)31-37-28(25)19-8-6-5-7-18(19)27(24)33/h5-8,13-16,30H,9-12H2,1-4H3

InChI Key

HWYYUBPMHJYWDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.414

Distribution Coefficient, logD

6.414

Water Solubility, LogSw

-5.98

Polar Surface Area

69.525

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C090-0102 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C090-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0102?
Check Price and Availability of C090-0102, 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 C090-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0102
  • 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 C090-0102 available by request