D054-0536 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide

D054-0536 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
D054-0536 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0536
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)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

D054-0536

Molecular Formula

C25H22ClN3O4S (C25 H22 ClN3 O4 S)

Compound Name

5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide

SMILES

CCCSc(nc1)nc(C(Nc2c(C(c(cc3)ccc3OCC)=O)oc3c2cccc3)=O)c1Cl

InChI

InChI=1S/C25H22ClN3O4S/c1-3-13-34-25-27-14-18(26)21(29-25)24(31)28-20-17-7-5-6-8-19(17)33-23(20)22(30)15-9-11-16(12-10-15)32-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,28,31)

InChI Key

YKUSJXXRATXOIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.966

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-6.06

Polar Surface Area

69.636

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D054-0536 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D054-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0536?
Check Price and Availability of D054-0536, 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 D054-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0536
  • 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 D054-0536 available by request