6466-0374 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

6466-0374 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
6466-0374 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0374
1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

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

6466-0374

Molecular Formula

C24H22F4N4OS (C24 H22 F4 N4 OS)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C24H22F4N4OS/c25-19-8-6-18(7-9-19)20-14-21(24(26,27)28)30-23(29-20)34-16-22(33)32-12-10-31(11-13-32)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2

InChI Key

AUSPZXQHSJYZDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.97

Polar Surface Area

36.921

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

6466-0374 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6466-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0374?
Check Price and Availability of 6466-0374, 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 6466-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0374
  • 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 6466-0374 available by request