6122-0018 Screening compound: methyl 2-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-phenylpropanoate

6122-0018 Screening compound: methyl 2-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-phenylpropanoate
6122-0018 Screening compound: methyl 2-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6122-0018
methyl 2-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-phenylpropanoate

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

6122-0018

Molecular Formula

C17H19N3O4S (C17 H19 N3 O4 S)

Compound Name

methyl 2-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-3-phenylpropanoate

IUPAC name

n/a

SMILES

CC(N=C(N1)SCC(NC(Cc2ccccc2)C(OC)=O)=O)=CC1=O

InChI

InChI=1S/C17H19N3O4S/c1-11-8-14(21)20-17(18-11)25-10-15(22)19-13(16(23)24-2)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,19,22)(H,18,20,21)/t13-/m0/s1

InChI Key

YKFGYLPZFLPJBZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05240753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.870

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-2.08

Polar Surface Area

79.576

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

6122-0018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6122-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6122-0018?
Check Price and Availability of 6122-0018, 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 6122-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6122-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6122-0018
  • 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 6122-0018 available by request