S471-0019 Screening compound: 4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

S471-0019 Screening compound: 4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
S471-0019 Screening compound: 4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0019
4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-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

S471-0019

Molecular Formula

C16H13F5N4O (C16 H13 F5 N4 O)

Compound Name

4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

IUPAC name

4-[4-(26-difluorobenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

SMILES

O=C(c(c(F)ccc1)c1F)N(CC1)CCN1c1ncnc(C(F)(F)F)c1

InChI

InChI=1S/C16H13F5N4O/c17-10-2-1-3-11(18)14(10)15(26)25-6-4-24(5-7-25)13-8-12(16(19,20)21)22-9-23-13/h1-3,8-9H,4-7H2

InChI Key

APVLCZZZFZWEOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.18

Polar Surface Area

39.420

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

S471-0019 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S471-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0019?
Check Price and Availability of S471-0019, 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 S471-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0019
  • 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 S471-0019 available by request