4554-4567 Screening compound: 4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione

4554-4567 Screening compound: 4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione
4554-4567 Screening compound: 4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-4567
4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione

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

4554-4567

Molecular Formula

C16H14N2S (C16 H14 N2 S)

Compound Name

4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione

IUPAC name

46-diphenyl-1234-tetrahydropyrimidine-2-thione

SMILES

S=C1NC(c2ccccc2)=CC(c2ccccc2)N1

InChI

InChI=1S/C16H14N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19)/t14-/m1/s1

InChI Key

HFRXOUDZIXBXEH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00052358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.20

Polar Surface Area

22.950

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-5.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

4554-4567 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4554-4567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-4567?
Check Price and Availability of 4554-4567, 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 4554-4567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-4567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-4567
  • 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 4554-4567 available by request