D493-0047 Screening compound: 2-[(1,4-diphenyl-1,6-dihydro-1,3,5-triazin-2-yl)sulfanyl]-N-propylacetamide

D493-0047 Screening compound: 2-[(1,4-diphenyl-1,6-dihydro-1,3,5-triazin-2-yl)sulfanyl]-N-propylacetamide
D493-0047 Screening compound: 2-[(1,4-diphenyl-1,6-dihydro-1,3,5-triazin-2-yl)sulfanyl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D493-0047
2-[(1,4-diphenyl-1,6-dihydro-1,3,5-triazin-2-yl)sulfanyl]-N-propylacetamide

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

D493-0047

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

2-[(1,4-diphenyl-1,6-dihydro-1,3,5-triazin-2-yl)sulfanyl]-N-propylacetamide

IUPAC name

2-[(14-diphenyl-16-dihydro-135-triazin-2-yl)sulfanyl]-N-propylacetamide

SMILES

CCCNC(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)=O

InChI

InChI=1S/C20H22N4OS/c1-2-13-21-18(25)14-26-20-23-19(16-9-5-3-6-10-16)22-15-24(20)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,21,25)

InChI Key

ZODQLZOCINVITP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12962130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

-1.298

Water Solubility, LogSw

-3.80

Polar Surface Area

46.565

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D493-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D493-0047?
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What is the minimum amount of D493-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D493-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D493-0047
  • 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 D493-0047 available by request