D053-0296 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-methanesulfonylpyrimidine-4-carboxamide

D053-0296 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-methanesulfonylpyrimidine-4-carboxamide
D053-0296 Screening compound: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0296
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-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

D053-0296

Molecular Formula

C23H18ClN3O6S (C23 H18 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(c(oc1c2cccc1)c2NC(c(nc(nc1)S(C)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C23H18ClN3O6S/c1-3-32-14-10-8-13(9-11-14)20(28)21-18(15-6-4-5-7-17(15)33-21)26-22(29)19-16(24)12-25-23(27-19)34(2,30)31/h4-12H,3H2,1-2H3,(H,26,29)

InChI Key

BRMRVEAWNCNHRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.93

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-3.89

Polar Surface Area

100.212

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D053-0296 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D053-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0296?
Check Price and Availability of D053-0296, 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 D053-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0296
  • 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 D053-0296 available by request