5157-0027 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

5157-0027 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
5157-0027 Screening compound: 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5157-0027
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-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

5157-0027

Molecular Formula

C14H12N6O2S2 (C14 H12 N6 O2 S2)

Compound Name

2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[(4-amino-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-N-(5-phenyl-134-thiadiazol-2-yl)acetamide

SMILES

NC(N=C(N1)SCC(Nc2nnc(-c3ccccc3)s2)=O)=CC1=O

InChI

InChI=1S/C14H12N6O2S2/c15-9-6-10(21)17-13(16-9)23-7-11(22)18-14-20-19-12(24-14)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20,22)(H3,15,16,17,21)

InChI Key

NAOSSRDNYJRGKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.088

Distribution Coefficient, logD

1.086

Water Solubility, LogSw

-2.07

Polar Surface Area

101.104

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5157-0027 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5157-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5157-0027?
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What is the minimum amount of 5157-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5157-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5157-0027
  • 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 5157-0027 available by request