D053-0304 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-4-carboxamide

D053-0304 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-4-carboxamide
D053-0304 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0304
5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-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

D053-0304

Molecular Formula

C18H15Cl2N3O4S (C18 H15 Cl2 N3 O4 S)

Compound Name

5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CS(c(nc1)nc(C(N(Cc2ccco2)Cc(cc2)ccc2Cl)=O)c1Cl)(=O)=O

InChI

InChI=1S/C18H15Cl2N3O4S/c1-28(25,26)18-21-9-15(20)16(22-18)17(24)23(11-14-3-2-8-27-14)10-12-4-6-13(19)7-5-12/h2-9H,10-11H2,1H3

InChI Key

USZAEOZGEKRCQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-3.34

Polar Surface Area

73.089

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D053-0304 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

KRAS-Targeted Library (16000 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D053-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0304?
Check Price and Availability of D053-0304, 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 D053-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0304
  • 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 D053-0304 available by request