S471-1256 Screening compound: ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate

S471-1256 Screening compound: ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate
S471-1256 Screening compound: ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-1256
ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate

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

S471-1256

Molecular Formula

C20H28F3N5O3 (C20 H28 F3 N5 O3)

Compound Name

ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(CC1)CCN1c1cc(C(F)(F)F)nc(C)n1)=O)=O

InChI

InChI=1S/C20H28F3N5O3/c1-3-31-19(30)28-10-6-15(7-11-28)26-18(29)14-4-8-27(9-5-14)17-12-16(20(21,22)23)24-13(2)25-17/h12,14-15H,3-11H2,1-2H3,(H,26,29)

InChI Key

WBQFWKDVDGDLCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-2.94

Polar Surface Area

68.257

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

S471-1256 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S471-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-1256?
Check Price and Availability of S471-1256, 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 S471-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-1256
  • 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 S471-1256 available by request