C090-0493 Screening compound: 4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic acid

C090-0493 Screening compound: 4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic acid
C090-0493 Screening compound: 4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0493
4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic 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

C090-0493

Molecular Formula

C25H25N3O6 (C25 H25 N3 O6)

Compound Name

4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic acid

IUPAC name

4-[(12-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-8-oxo-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)2(7)3591113-heptaen-10-yl)amino]butanoic acid

SMILES

OC(CCCNc(cc(c1noc(-c2c3cccc2)c11)N(CC2)CCC22OCCO2)c1C3=O)=O

InChI

InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)

InChI Key

BBPLHURIVUXONI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

0.382

Water Solubility, LogSw

-3.99

Polar Surface Area

90.803

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C090-0493 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C090-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0493?
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What is the minimum amount of C090-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0493
  • 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 C090-0493 available by request