L863-0991 Screening compound: 2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide

L863-0991 Screening compound: 2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide
L863-0991 Screening compound: 2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L863-0991
2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide

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

L863-0991

Molecular Formula

C20H18N4O4S3 (C20 H18 N4 O4 S3)

Compound Name

2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-57-dioxo-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

COc(cccc1)c1N(C(c1c(N2CC(NCc3cccs3)=O)nc(SC)s1)=O)C2=O

InChI

InChI=1S/C20H18N4O4S3/c1-28-14-8-4-3-7-13(14)24-18(26)16-17(22-19(29-2)31-16)23(20(24)27)11-15(25)21-10-12-6-5-9-30-12/h3-9H,10-11H2,1-2H3,(H,21,25)

InChI Key

RKJIPIJEURZQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.80

Polar Surface Area

74.124

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L863-0991 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L863-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L863-0991?
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What is the minimum amount of L863-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L863-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L863-0991
  • 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 L863-0991 available by request