C090-0501 Screening compound: 4-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)butanoic acid

C090-0501 Screening compound: 4-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)butanoic acid
C090-0501 Screening compound: 4-({3-[4-(ethoxycarbonyl)piperidino]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}amino)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0501
4-({3-[4-(ethoxycarbonyl)piperidino]-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

C090-0501

Molecular Formula

C26H27N3O6 (C26 H27 N3 O6)

Compound Name

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

IUPAC name

4-({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)butanoic acid

SMILES

CCOC(C(CC1)CCN1c(c1noc(-c2c3cccc2)c11)cc(NCCCC(O)=O)c1C3=O)=O

InChI

InChI=1S/C26H27N3O6/c1-2-34-26(33)15-9-12-29(13-10-15)19-14-18(27-11-5-8-20(30)31)21-22-23(19)28-35-25(22)17-7-4-3-6-16(17)24(21)32/h3-4,6-7,14-15,27H,2,5,8-13H2,1H3,(H,30,31)

InChI Key

STLMTYGXTGFASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-4.27

Polar Surface Area

97.120

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C090-0501 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 C090-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0501?
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What is the minimum amount of C090-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0501
  • 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 C090-0501 available by request