D244-0237 Screening compound: methyl 4-{5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

D244-0237 Screening compound: methyl 4-{5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-amido}benzoate
D244-0237 Screening compound: methyl 4-{5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0237
methyl 4-{5-chloro-2-[(2-methylphenyl)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

D244-0237

Molecular Formula

C21H18ClN3O5S (C21 H18 ClN3 O5 S)

Compound Name

methyl 4-{5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

IUPAC name

methyl 4-{5-chloro-2-[(2-methylphenyl)methanesulfonyl]pyrimidine-4-amido}benzoate

SMILES

Cc1c(CS(c(nc2)nc(C(Nc(cc3)ccc3C(OC)=O)=O)c2Cl)(=O)=O)cccc1

InChI

InChI=1S/C21H18ClN3O5S/c1-13-5-3-4-6-15(13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-9-7-14(8-10-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)

InChI Key

FKSCXEYFBSTXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.53

Polar Surface Area

92.681

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D244-0237 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 D244-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0237?
Check Price and Availability of D244-0237, 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 D244-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0237
  • 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 D244-0237 available by request