F727-0763 Screening compound: 4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

F727-0763 Screening compound: 4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
F727-0763 Screening compound: 4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F727-0763
4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

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

F727-0763

Molecular Formula

C21H20ClFN4O3S (C21 H20 ClFN4 O3 S)

Compound Name

4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

IUPAC name

4-[4-(3-chloro-4-fluorobenzenesulfonyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

SMILES

COc1cccc(-c2cc(N(CC3)CCN3S(c(cc3)cc(Cl)c3F)(=O)=O)ncn2)c1

InChI

InChI=1S/C21H20ClFN4O3S/c1-30-16-4-2-3-15(11-16)20-13-21(25-14-24-20)26-7-9-27(10-8-26)31(28,29)17-5-6-19(23)18(22)12-17/h2-6,11-14H,7-10H2,1H3

InChI Key

GRRHJHOGGCJFDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.97

Polar Surface Area

61.755

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F727-0763 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F727-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F727-0763?
Check Price and Availability of F727-0763, 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 F727-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F727-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F727-0763
  • 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 F727-0763 available by request