D233-0800 Screening compound: 5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

D233-0800 Screening compound: 5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
D233-0800 Screening compound: 5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0800
5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)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

D233-0800

Molecular Formula

C23H19ClN4O3S (C23 H19 ClN4 O3 S)

Compound Name

5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

CC(C)Sc(nc1)nc(C(Nc2c(C(Nc3ccccc3)=O)oc3c2cccc3)=O)c1Cl

InChI

InChI=1S/C23H19ClN4O3S/c1-13(2)32-23-25-12-16(24)19(28-23)21(29)27-18-15-10-6-7-11-17(15)31-20(18)22(30)26-14-8-4-3-5-9-14/h3-13H,1-2H3,(H,26,30)(H,27,29)

InChI Key

XFVIKHZWOJLGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-5.58

Polar Surface Area

72.136

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D233-0800 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D233-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0800?
Check Price and Availability of D233-0800, 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 D233-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0800
  • 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 D233-0800 available by request