A0018463 Screening compound: ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate

A0018463 Screening compound: ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
A0018463 Screening compound: ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018463
ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate

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

A0018463

Molecular Formula

C22H19N3O3S3 (C22 H19 N3 O3 S3)

Compound Name

ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({3-benzyl-7-oxo-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl}sulfanyl)acetate

SMILES

CCOC(CSC(N(c1ccccc1)C1=O)=NC(N2Cc3ccccc3)=C1SC2=S)=O

InChI

InChI=1S/C22H19N3O3S3/c1-2-28-17(26)14-30-21-23-19-18(20(27)25(21)16-11-7-4-8-12-16)31-22(29)24(19)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3

InChI Key

DJVIEWANSDWEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.473

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.26

Polar Surface Area

47.996

Acid Dissociation Constant (pKa)

29.82

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

A0018463 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with A0018463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018463?
Check Price and Availability of A0018463, 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 A0018463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018463
  • 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 A0018463 available by request