4917-0221 Screening compound: ethyl 3-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoate

4917-0221 Screening compound: ethyl 3-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoate
4917-0221 Screening compound: ethyl 3-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4917-0221
ethyl 3-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoate

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

4917-0221

Molecular Formula

C24H22N2O5 (C24 H22 N2 O5)

Compound Name

ethyl 3-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoate

IUPAC name

ethyl 3-{5-[(E)-({35-dioxo-4-azatricyclo[5.2.2.0^{26}]undec-8-en-4-yl}imino)methyl]furan-2-yl}benzoate

SMILES

CCOC(c1cccc(-c2ccc(/C=N/N(C(C3C(CC4)C=CC4C33)=O)C3=O)o2)c1)=O

InChI

InChI=1S/C24H22N2O5/c1-2-30-24(29)17-5-3-4-16(12-17)19-11-10-18(31-19)13-25-26-22(27)20-14-6-7-15(9-8-14)21(20)23(26)28/h3-7,10-15,20-21H,2,8-9H2,1H3

InChI Key

GTEDFCAJNSRIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02065028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.73

Polar Surface Area

68.343

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

4917-0221 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 4917-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4917-0221?
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What is the minimum amount of 4917-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4917-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4917-0221
  • 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 4917-0221 available by request