D053-0395 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide

D053-0395 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide
D053-0395 Screening compound: 5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0395
5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}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

D053-0395

Molecular Formula

C23H19ClN4O5S (C23 H19 ClN4 O5 S)

Compound Name

5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(ethanesulfonyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc2c(C(Nc3cc(C)ccc3)=O)oc3c2cccc3)=O)c1Cl)(=O)=O

InChI

InChI=1S/C23H19ClN4O5S/c1-3-34(31,32)23-25-12-16(24)19(28-23)21(29)27-18-15-9-4-5-10-17(15)33-20(18)22(30)26-14-8-6-7-13(2)11-14/h4-12H,3H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

KYWPUANQGSPEFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-4.16

Polar Surface Area

102.000

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D053-0395 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D053-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0395?
Check Price and Availability of D053-0395, 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 D053-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0395
  • 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 D053-0395 available by request