D650-0088 Screening compound: 2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate

D650-0088 Screening compound: 2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate
D650-0088 Screening compound: 2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D650-0088
2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate

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

D650-0088

Molecular Formula

C21H17ClN2O5S (C21 H17 ClN2 O5 S)

Compound Name

2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate

IUPAC name

2-acetyl-4-methylphenyl 5-chloro-2-phenylmethanesulfonylpyrimidine-4-carboxylate

SMILES

CC(c(cc(C)cc1)c1OC(c(nc(nc1)S(Cc2ccccc2)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C21H17ClN2O5S/c1-13-8-9-18(16(10-13)14(2)25)29-20(26)19-17(22)11-23-21(24-19)30(27,28)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3

InChI Key

CBIRPDPXXZLPAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.74

Polar Surface Area

82.707

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D650-0088 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D650-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D650-0088?
Check Price and Availability of D650-0088, 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 D650-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D650-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D650-0088
  • 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 D650-0088 available by request