3773-3313 Screening compound: (6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3773-3313 Screening compound: (6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3773-3313 Screening compound: (6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3773-3313
(6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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

3773-3313

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

(6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-2-heptyl-6-[(4-hydroxyphenyl)methylidene]-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCCCCCC(SC1=NC(/C2=C\c(cc3)ccc3O)=O)=NN1C2=N

InChI

InChI=1S/C19H22N4O2S/c1-2-3-4-5-6-7-16-22-23-17(20)15(18(25)21-19(23)26-16)12-13-8-10-14(24)11-9-13/h8-12,20,24H,2-7H2,1H3

InChI Key

UFMIKUSRHPFGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02117966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-4.20

Polar Surface Area

72.539

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3773-3313 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3773-3313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3773-3313?
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What is the minimum amount of 3773-3313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-3313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-3313
  • 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 3773-3313 available by request