8017-3151 Screening compound: ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

8017-3151 Screening compound: ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
8017-3151 Screening compound: ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3151
ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

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

8017-3151

Molecular Formula

C16H20N4O4S2 (C16 H20 N4 O4 S2)

Compound Name

ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-{2-[(6-oxo-4-propyl-16-dihydropyrimidin-2-yl)sulfanyl]acetamido}-13-thiazole-5-carboxylate

SMILES

CCCC(N=C(N1)SCC(Nc2nc(C)c(C(OCC)=O)s2)=O)=CC1=O

InChI

InChI=1S/C16H20N4O4S2/c1-4-6-10-7-11(21)19-15(18-10)25-8-12(22)20-16-17-9(3)13(26-16)14(23)24-5-2/h7H,4-6,8H2,1-3H3,(H,17,20,22)(H,18,19,21)

InChI Key

CZGZOUXYLKVHDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

1.879

Water Solubility, LogSw

-2.80

Polar Surface Area

89.433

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8017-3151 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 8017-3151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3151?
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What is the minimum amount of 8017-3151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3151
  • 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 8017-3151 available by request