A0018660 Screening compound: ethyl 2-{[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

A0018660 Screening compound: ethyl 2-{[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
A0018660 Screening compound: ethyl 2-{[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-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 A0018660
ethyl 2-{[3-(2,6-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-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

A0018660

Molecular Formula

C25H25N3O3S3 (C25 H25 N3 O3 S3)

Compound Name

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

IUPAC name

ethyl 2-{[3-(26-dimethylphenyl)-7-oxo-6-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(CCc1ccccc1)C1=O)=NC(N2c3c(C)cccc3C)=C1SC2=S)=O

InChI

InChI=1S/C25H25N3O3S3/c1-4-31-19(29)15-33-24-26-22-21(23(30)27(24)14-13-18-11-6-5-7-12-18)34-25(32)28(22)20-16(2)9-8-10-17(20)3/h5-12H,4,13-15H2,1-3H3

InChI Key

INHJLKSCJHBVEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.29

Polar Surface Area

47.373

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

A0018660 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with A0018660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018660?
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What is the minimum amount of A0018660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018660
  • 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 A0018660 available by request