S471-0255 Screening compound: 4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

S471-0255 Screening compound: 4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
S471-0255 Screening compound: 4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0255
4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)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

S471-0255

Molecular Formula

C19H21F3N4O2 (C19 H21 F3 N4 O2)

Compound Name

4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

IUPAC name

4-[4-(2-ethoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

SMILES

CCOc(cccc1)c1C(N(CC1)CCN1c1cc(C(F)(F)F)nc(C)n1)=O

InChI

InChI=1S/C19H21F3N4O2/c1-3-28-15-7-5-4-6-14(15)18(27)26-10-8-25(9-11-26)17-12-16(19(20,21)22)23-13(2)24-17/h4-7,12H,3,8-11H2,1-2H3

InChI Key

CKNMPYIFJYHBDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28383531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.68

Polar Surface Area

45.005

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S471-0255 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S471-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0255?
Check Price and Availability of S471-0255, 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 S471-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0255
  • 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 S471-0255 available by request