D650-0189 Screening compound: 3-bromophenyl 5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

D650-0189 Screening compound: 3-bromophenyl 5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxylate
D650-0189 Screening compound: 3-bromophenyl 5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D650-0189
3-bromophenyl 5-chloro-2-[(4-fluorophenyl)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

D650-0189

Molecular Formula

C18H11BrClFN2O4S (C18 H11 BrClFN2 O4 S)

Compound Name

3-bromophenyl 5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

IUPAC name

3-bromophenyl 5-chloro-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxylate

SMILES

O=C(c1nc(S(Cc(cc2)ccc2F)(=O)=O)ncc1Cl)Oc1cccc(Br)c1

InChI

InChI=1S/C18H11BrClFN2O4S/c19-12-2-1-3-14(8-12)27-17(24)16-15(20)9-22-18(23-16)28(25,26)10-11-4-6-13(21)7-5-11/h1-9H,10H2

InChI Key

AIAHFLUJMQXDTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.72

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

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.37

Polar Surface Area

68.794

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D650-0189 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D650-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D650-0189?
Check Price and Availability of D650-0189, 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 D650-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D650-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D650-0189
  • 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 D650-0189 available by request