8009-3124 Screening compound: 2-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid

8009-3124 Screening compound: 2-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid
8009-3124 Screening compound: 2-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3124
2-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]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

8009-3124

Molecular Formula

C23H16N2O4S (C23 H16 N2 O4 S)

Compound Name

2-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoic acid

IUPAC name

2-(5-{[(4Z)-910-dimethyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

Cc(cc1)c(C)c2c1n(C(/C(/S1)=C/c3ccc(-c(cccc4)c4C(O)=O)o3)=O)c1n2

InChI

InChI=1S/C23H16N2O4S/c1-12-7-9-17-20(13(12)2)24-23-25(17)21(26)19(30-23)11-14-8-10-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)

InChI Key

TZFWFKLCIVBBOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-4.35

Polar Surface Area

61.201

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8009-3124 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 8009-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3124?
Check Price and Availability of 8009-3124, 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 8009-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3124
  • 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 8009-3124 available by request