4554-4589 Screening compound: 6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione

4554-4589 Screening compound: 6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione
4554-4589 Screening compound: 6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-4589
6-phenyl-4-(3,4,5-trimethoxyphenyl)-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

4554-4589

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione

IUPAC name

6-phenyl-4-(345-trimethoxyphenyl)-1234-tetrahydropyrimidine-2-thione

SMILES

COc1cc(C(C=C(c2ccccc2)N2)NC2=S)cc(OC)c1OC

InChI

InChI=1S/C19H20N2O3S/c1-22-16-9-13(10-17(23-2)18(16)24-3)15-11-14(20-19(25)21-15)12-7-5-4-6-8-12/h4-11,15H,1-3H3,(H2,20,21,25)/t15-/m1/s1

InChI Key

VZZBYLNORGHHMS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03826944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.79

Polar Surface Area

45.928

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-5.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 4554-4589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-4589?
Check Price and Availability of 4554-4589, 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 4554-4589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-4589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-4589
  • 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 4554-4589 available by request