D054-0502 Screening compound: 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide

D054-0502 Screening compound: 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
D054-0502 Screening compound: 5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0502
5-chloro-N-[2-(4-chlorobenzoyl)-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

D054-0502

Molecular Formula

C23H17Cl2N3O3S (C23 H17 Cl2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSc(nc1)nc(C(Nc2c(C(c(cc3)ccc3Cl)=O)oc3c2cccc3)=O)c1Cl

InChI

InChI=1S/C23H17Cl2N3O3S/c1-2-11-32-23-26-12-16(25)19(28-23)22(30)27-18-15-5-3-4-6-17(15)31-21(18)20(29)13-7-9-14(24)10-8-13/h3-10,12H,2,11H2,1H3,(H,27,30)

InChI Key

QVALQMSEMKNIME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.192

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-6.14

Polar Surface Area

62.512

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D054-0502 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D054-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0502?
Check Price and Availability of D054-0502, 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 D054-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0502
  • 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 D054-0502 available by request