D054-0232 Screening compound: 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

D054-0232 Screening compound: 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
D054-0232 Screening compound: 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0232
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

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

D054-0232

Molecular Formula

C20H21ClN4O2S (C20 H21 ClN4 O2 S)

Compound Name

5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

SMILES

CN(C)c1ccc(CN(Cc2ccco2)C(c(nc(nc2)SC)c2Cl)=O)cc1

InChI

InChI=1S/C20H21ClN4O2S/c1-24(2)15-8-6-14(7-9-15)12-25(13-16-5-4-10-27-16)19(26)18-17(21)11-22-20(23-18)28-3/h4-11H,12-13H2,1-3H3

InChI Key

HOSGOLLETGYCRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.23

Polar Surface Area

45.317

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D054-0232 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D054-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0232?
Check Price and Availability of D054-0232, 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 D054-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0232
  • 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 D054-0232 available by request