3129-0313 Screening compound: 2-[(E)-1-(3-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

3129-0313 Screening compound: 2-[(E)-1-(3-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
3129-0313 Screening compound: 2-[(E)-1-(3-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-0313
2-[(E)-1-(3-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

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

3129-0313

Molecular Formula

C16H10N2O2S (C16 H10 N2 O2 S)

Compound Name

2-[(E)-1-(3-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-[(3-hydroxyphenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

Oc1cccc(/C=C2/Sc3nc(cccc4)c4n3C2=O)c1

InChI

InChI=1S/C16H10N2O2S/c19-11-5-3-4-10(8-11)9-14-15(20)18-13-7-2-1-6-12(13)17-16(18)21-14/h1-9,19H

InChI Key

PHLFMNFVQWJNBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00497197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.09

Polar Surface Area

42.070

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3129-0313 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 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 3129-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-0313?
Check Price and Availability of 3129-0313, 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 3129-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-0313
  • 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 3129-0313 available by request