7067-5711 Screening compound: 5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

7067-5711 Screening compound: 5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
7067-5711 Screening compound: 5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7067-5711
5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]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

7067-5711

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-(4-ethoxyphenyl)-3-phenyl-2-sulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc1ccc(C(NC(N2c3ccccc3)=C3SC2=S)NC3=O)cc1

InChI

InChI=1S/C19H17N3O2S2/c1-2-24-14-10-8-12(9-11-14)16-20-17-15(18(23)21-16)26-19(25)22(17)13-6-4-3-5-7-13/h3-11,16,20H,2H2,1H3,(H,21,23)/t16-/m1/s1

InChI Key

IAQKSXRFJKPYOR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02997881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.59

Polar Surface Area

45.295

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

7067-5711 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7067-5711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7067-5711?
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What is the minimum amount of 7067-5711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7067-5711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7067-5711
  • 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 7067-5711 available by request