S471-0636 Screening compound: 3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide

S471-0636 Screening compound: 3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide
S471-0636 Screening compound: 3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S471-0636
3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide

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

S471-0636

Molecular Formula

C21H25F3N4O2 (C21 H25 F3 N4 O2)

Compound Name

3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide

IUPAC name

3-(3-methoxyphenyl)-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide

SMILES

Cc1nc(N(CC2)CCC2NC(CCc2cc(OC)ccc2)=O)cc(C(F)(F)F)n1

InChI

InChI=1S/C21H25F3N4O2/c1-14-25-18(21(22,23)24)13-19(26-14)28-10-8-16(9-11-28)27-20(29)7-6-15-4-3-5-17(12-15)30-2/h3-5,12-13,16H,6-11H2,1-2H3,(H,27,29)

InChI Key

GRKSERUOHIZMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28383488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.21

Polar Surface Area

52.615

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

S471-0636 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S471-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S471-0636?
Check Price and Availability of S471-0636, 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 S471-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S471-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S471-0636
  • 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 S471-0636 available by request