S471-1130 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

S471-1130 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
S471-1130 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-1130
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

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

S471-1130

Molecular Formula

C20H23F3N4O3 (C20 H23 F3 N4 O3)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

COc1cc(OC)c(CNC(C(CC2)CCN2c2cc(C(F)(F)F)ncn2)=O)cc1

InChI

InChI=1S/C20H23F3N4O3/c1-29-15-4-3-14(16(9-15)30-2)11-24-19(28)13-5-7-27(8-6-13)18-10-17(20(21,22)23)25-12-26-18/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,24,28)

InChI Key

LDNCJYWOAFXYPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.36

Polar Surface Area

62.552

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S471-1130 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S471-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-1130?
Check Price and Availability of S471-1130, 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 S471-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-1130
  • 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 S471-1130 available by request