D491-0261 Screening compound: phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

D491-0261 Screening compound: phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
D491-0261 Screening compound: phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-0261
phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-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

D491-0261

Molecular Formula

C18H12Cl2N2O4S (C18 H12 Cl2 N2 O4 S)

Compound Name

phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

IUPAC name

phenyl 5-chloro-2-[(2-chlorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

SMILES

O=C(c(nc(nc1)S(Cc(cccc2)c2Cl)(=O)=O)c1Cl)Oc1ccccc1

InChI

InChI=1S/C18H12Cl2N2O4S/c19-14-9-5-4-6-12(14)11-27(24,25)18-21-10-15(20)16(22-18)17(23)26-13-7-2-1-3-8-13/h1-10H,11H2

InChI Key

WCBYCUYZFJHVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.48

Polar Surface Area

68.794

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D491-0261 in Drug Discovery

Included in Screening Libraries

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

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 D491-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-0261?
Check Price and Availability of D491-0261, 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 D491-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-0261
  • 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 D491-0261 available by request