5774-0025 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide

5774-0025 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide
5774-0025 Screening compound: 2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5774-0025
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-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

5774-0025

Molecular Formula

C18H16ClN5O2S (C18 H16 ClN5 O2 S)

Compound Name

2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide

IUPAC name

2-{[6-amino-1-(3-methylphenyl)-4-oxo-14-dihydropyrimidin-2-yl]sulfanyl}-N-(5-chloropyridin-2-yl)acetamide

SMILES

Cc1cccc(N(C(N)=C2)C(SCC(Nc(cc3)ncc3Cl)=O)=NC2=O)c1

InChI

InChI=1S/C18H16ClN5O2S/c1-11-3-2-4-13(7-11)24-14(20)8-16(25)23-18(24)27-10-17(26)22-15-6-5-12(19)9-21-15/h2-9H,10,20H2,1H3,(H,21,22,26)

InChI Key

KBFXCWMUZGBXNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.35

Polar Surface Area

77.055

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5774-0025 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 5774-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5774-0025?
Check Price and Availability of 5774-0025, 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 5774-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5774-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5774-0025
  • 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 5774-0025 available by request