4215-0004 Screening compound: 5-(4-methoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4215-0004 Screening compound: 5-(4-methoxyphenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
4215-0004 Screening compound: 5-(4-methoxyphenyl)-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 4215-0004
5-(4-methoxyphenyl)-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

4215-0004

Molecular Formula

C18H15N3O2S2 (C18 H15 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(NC(N2c3ccccc3)=C3SC2=S)NC3=O)cc1

InChI

InChI=1S/C18H15N3O2S2/c1-23-13-9-7-11(8-10-13)15-19-16-14(17(22)20-15)25-18(24)21(16)12-5-3-2-4-6-12/h2-10,15,19H,1H3,(H,20,22)/t15-/m1/s1

InChI Key

LMKVCTSTEZHCDR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01030647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-3.47

Polar Surface Area

45.716

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

4215-0004 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4215-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4215-0004?
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What is the minimum amount of 4215-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4215-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4215-0004
  • 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 4215-0004 available by request