2233-0464 Screening compound: 2-chloro-5-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoic acid

2233-0464 Screening compound: 2-chloro-5-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoic acid
2233-0464 Screening compound: 2-chloro-5-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2233-0464
2-chloro-5-(5-{[(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)imino]methyl}-2-furyl)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

2233-0464

Molecular Formula

C22H17ClN2O5 (C22 H17 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc(cc1)-c2ccc(/C=N/N(C(C3C(CC4)C=CC4C33)=O)C3=O)o2)c1Cl)=O

InChI

InChI=1S/C22H17ClN2O5/c23-16-7-5-13(9-15(16)22(28)29)17-8-6-14(30-17)10-24-25-20(26)18-11-1-2-12(4-3-11)19(18)21(25)27/h1-2,5-12,18-19H,3-4H2,(H,28,29)

InChI Key

DQVLZPDJSKGTCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

-1.065

Water Solubility, LogSw

-3.71

Polar Surface Area

75.997

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

27.30

2233-0464 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 2233-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2233-0464?
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What is the minimum amount of 2233-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2233-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2233-0464
  • 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 2233-0464 available by request