C090-0439 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

C090-0439 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid
C090-0439 Screening compound: 2-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0439
2-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

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

C090-0439

Molecular Formula

C29H25N3O6 (C29 H25 N3 O6)

Compound Name

2-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)benzoic acid

IUPAC name

2-({12-[4-(ethoxycarbonyl)piperidin-1-yl]-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-10-yl}amino)benzoic acid

SMILES

CCOC(C(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(Nc(cccc2)c2C(O)=O)c1C3=O)=O

InChI

InChI=1S/C29H25N3O6/c1-2-37-29(36)16-11-13-32(14-12-16)22-15-21(30-20-10-6-5-9-19(20)28(34)35)23-24-25(22)31-38-27(24)18-8-4-3-7-17(18)26(23)33/h3-10,15-16,30H,2,11-14H2,1H3,(H,34,35)

InChI Key

PNFWSRULRYZSPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.810

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-5.77

Polar Surface Area

95.011

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C090-0439 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 C090-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0439?
Check Price and Availability of C090-0439, 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 C090-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0439
  • 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 C090-0439 available by request