D054-0428 Screening compound: 5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine

D054-0428 Screening compound: 5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine
D054-0428 Screening compound: 5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0428
5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine

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

D054-0428

Molecular Formula

C19H23ClN4O2S (C19 H23 ClN4 O2 S)

Compound Name

5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine

IUPAC name

5-chloro-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(propylsulfanyl)pyrimidine

SMILES

CCCSc(nc1)nc(C(N(CC2)CCN2c(cc2)ccc2OC)=O)c1Cl

InChI

InChI=1S/C19H23ClN4O2S/c1-3-12-27-19-21-13-16(20)17(22-19)18(25)24-10-8-23(9-11-24)14-4-6-15(26-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3

InChI Key

QVSQOGAZVDAKKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06628856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.18

Polar Surface Area

46.276

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D054-0428 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D054-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0428?
Check Price and Availability of D054-0428, 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 D054-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0428
  • 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 D054-0428 available by request