5157-0040 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide

5157-0040 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide
5157-0040 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5157-0040
2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide

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

5157-0040

Molecular Formula

C19H18N4O2S (C19 H18 N4 O2 S)

Compound Name

2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide

IUPAC name

2-[(6-amino-4-oxo-1-phenyl-14-dihydropyrimidin-2-yl)sulfanyl]-N-benzylacetamide

SMILES

NC(N(c1ccccc1)C(SCC(NCc1ccccc1)=O)=N1)=CC1=O

InChI

InChI=1S/C19H18N4O2S/c20-16-11-17(24)22-19(23(16)15-9-5-2-6-10-15)26-13-18(25)21-12-14-7-3-1-4-8-14/h1-11H,12-13,20H2,(H,21,25)

InChI Key

YHTGNDKJWFZOPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.19

Polar Surface Area

68.673

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 5157-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5157-0040?
Check Price and Availability of 5157-0040, 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 5157-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5157-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5157-0040
  • 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 5157-0040 available by request