D233-0340 Screening compound: ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

D233-0340 Screening compound: ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate
D233-0340 Screening compound: ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0340
ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

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

D233-0340

Molecular Formula

C21H17ClFN3O5S (C21 H17 ClFN3 O5 S)

Compound Name

ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

IUPAC name

ethyl 4-{5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(nc(nc1)S(Cc(cc2)ccc2F)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C21H17ClFN3O5S/c1-2-31-20(28)14-5-9-16(10-6-14)25-19(27)18-17(22)11-24-21(26-18)32(29,30)12-13-3-7-15(23)8-4-13/h3-11H,2,12H2,1H3,(H,25,27)

InChI Key

KHBMRTHKIYZCJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.984

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-4.34

Polar Surface Area

92.261

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D233-0340 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • 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 D233-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0340?
Check Price and Availability of D233-0340, 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 D233-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0340
  • 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 D233-0340 available by request