S471-0616 Screening compound: 5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

S471-0616 Screening compound: 5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide
S471-0616 Screening compound: 5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0616
5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

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

S471-0616

Molecular Formula

C19H20ClF3N4O2 (C19 H20 ClF3 N4 O2)

Compound Name

5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

IUPAC name

5-chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide

SMILES

Cc1nc(C(F)(F)F)cc(N(CC2)CCC2NC(c(cc(cc2)Cl)c2OC)=O)n1

InChI

InChI=1S/C19H20ClF3N4O2/c1-11-24-16(19(21,22)23)10-17(25-11)27-7-5-13(6-8-27)26-18(28)14-9-12(20)3-4-15(14)29-2/h3-4,9-10,13H,5-8H2,1-2H3,(H,26,28)

InChI Key

JWRBKHODNSFJQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.74

Polar Surface Area

52.915

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S471-0616 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S471-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0616?
Check Price and Availability of S471-0616, 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 S471-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0616
  • 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 S471-0616 available by request