A0018915 Screening compound: 6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018915 Screening compound: 6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018915 Screening compound: 6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018915
6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,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

A0018915

Molecular Formula

C24H23N3O3S3 (C24 H23 N3 O3 S3)

Compound Name

6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-butyl-3-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCCCN(C1=O)C(SCC(c2ccccc2)=O)=NC(N2c(cccc3)c3OC)=C1SC2=S

InChI

InChI=1S/C24H23N3O3S3/c1-3-4-14-26-22(29)20-21(25-23(26)32-15-18(28)16-10-6-5-7-11-16)27(24(31)33-20)17-12-8-9-13-19(17)30-2/h5-13H,3-4,14-15H2,1-2H3

InChI Key

SBUDAFNXQYZOLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

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

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-4.50

Polar Surface Area

48.392

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

A0018915 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0018915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018915?
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What is the minimum amount of A0018915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018915
  • 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 A0018915 available by request