3972-1643 Screening compound: 2-[(Z)-1-(3,4-dihydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

3972-1643 Screening compound: 2-[(Z)-1-(3,4-dihydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
3972-1643 Screening compound: 2-[(Z)-1-(3,4-dihydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3972-1643
2-[(Z)-1-(3,4-dihydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-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

3972-1643

Molecular Formula

C16H10N2O3S (C16 H10 N2 O3 S)

Compound Name

2-[(Z)-1-(3,4-dihydroxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(34-dihydroxyphenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

Oc(ccc(/C=C1\Sc2nc(cccc3)c3n2C1=O)c1)c1O

InChI

InChI=1S/C16H10N2O3S/c19-12-6-5-9(7-13(12)20)8-14-15(21)18-11-4-2-1-3-10(11)17-16(18)22-14/h1-8,19-20H

InChI Key

PZIZLKJGPGUSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.59

Polar Surface Area

57.549

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3972-1643 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 3972-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3972-1643?
Check Price and Availability of 3972-1643, 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 3972-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3972-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3972-1643
  • 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 3972-1643 available by request