L863-2046 Screening compound: N-(2,5-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

L863-2046 Screening compound: N-(2,5-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
L863-2046 Screening compound: N-(2,5-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L863-2046
N-(2,5-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-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

L863-2046

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

N-(2,5-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-5,7-dioxo-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-[2-(ethylsulfanyl)-57-dioxo-6-phenyl-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]acetamide

SMILES

CCSc1nc(N(CC(Nc(cc(cc2)OC)c2OC)=O)C(N(c2ccccc2)C2=O)=O)c2s1

InChI

InChI=1S/C23H22N4O5S2/c1-4-33-22-25-20-19(34-22)21(29)27(14-8-6-5-7-9-14)23(30)26(20)13-18(28)24-16-12-15(31-2)10-11-17(16)32-3/h5-12H,4,13H2,1-3H3,(H,24,28)

InChI Key

MRLVKDYZNGOREE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-3.98

Polar Surface Area

78.931

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L863-2046 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 L863-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L863-2046?
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What is the minimum amount of L863-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L863-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L863-2046
  • 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 L863-2046 available by request