5088-1099 Screening compound: 2-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

5088-1099 Screening compound: 2-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
5088-1099 Screening compound: 2-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5088-1099
2-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-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

5088-1099

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

2-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[(5-butyl-4-hydroxy-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

SMILES

CCCCC(C(NC(SCC(NCc1ccco1)=O)=N1)=O)=C1O

InChI

InChI=1S/C15H19N3O4S/c1-2-3-6-11-13(20)17-15(18-14(11)21)23-9-12(19)16-8-10-5-4-7-22-10/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,19)(H2,17,18,20,21)

InChI Key

QOLPKMYFVBPWHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03724317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

-1.386

Water Solubility, LogSw

-2.66

Polar Surface Area

82.892

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5088-1099 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 5088-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5088-1099?
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What is the minimum amount of 5088-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5088-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5088-1099
  • 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 5088-1099 available by request