5157-0044 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide

5157-0044 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
5157-0044 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5157-0044
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]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

5157-0044

Molecular Formula

C10H11N5O2S2 (C10 H11 N5 O2 S2)

Compound Name

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

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-14-dihydropyrimidin-2-yl)sulfanyl]acetamide

SMILES

Cc1nnc(NC(CSC(NC(C)=C2)=NC2=O)=O)s1

InChI

InChI=1S/C10H11N5O2S2/c1-5-3-7(16)12-9(11-5)18-4-8(17)13-10-15-14-6(2)19-10/h3H,4H2,1-2H3,(H,11,12,16)(H,13,15,17)

InChI Key

OMNCCTWOONFKLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.166

Distribution Coefficient, logD

-2.068

Water Solubility, LogSw

-1.99

Polar Surface Area

80.801

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5157-0044 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5157-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5157-0044?
Check Price and Availability of 5157-0044, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5157-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5157-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5157-0044
  • 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 5157-0044 available by request