L863-0946 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-(propan-2-yl)acetamide

L863-0946 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-(propan-2-yl)acetamide
L863-0946 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-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L863-0946
2-[6-(2-methoxyphenyl)-2-(methylsulfanyl)-5,7-dioxo-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-(propan-2-yl)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

L863-0946

Molecular Formula

C18H20N4O4S2 (C18 H20 N4 O4 S2)

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-(propan-2-yl)acetamide

IUPAC name

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

SMILES

CC(C)NC(CN(c1c(C(N2c(cccc3)c3OC)=O)sc(SC)n1)C2=O)=O

InChI

InChI=1S/C18H20N4O4S2/c1-10(2)19-13(23)9-21-15-14(28-17(20-15)27-4)16(24)22(18(21)25)11-7-5-6-8-12(11)26-3/h5-8,10H,9H2,1-4H3,(H,19,23)

InChI Key

FXTINFVJBTTZQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-3.15

Polar Surface Area

72.352

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L863-0946 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 L863-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L863-0946?
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What is the minimum amount of L863-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L863-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L863-0946
  • 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 L863-0946 available by request