Y042-1199 Screening compound: N-[1-(3,4-dimethoxybenzyl)-4-piperidyl]-2-(2,4,5-trifluorophenyl)acetamide

Y042-1199 Screening compound: N-[1-(3,4-dimethoxybenzyl)-4-piperidyl]-2-(2,4,5-trifluorophenyl)acetamide
Y042-1199 Screening compound: N-[1-(3,4-dimethoxybenzyl)-4-piperidyl]-2-(2,4,5-trifluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1199
N-[1-(3,4-dimethoxybenzyl)-4-piperidyl]-2-(2,4,5-trifluorophenyl)acetamide

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

Y042-1199

Molecular Formula

C22H25F3N2O3 (C22 H25 F3 N2 O3)

Compound Name

N-[1-(3,4-dimethoxybenzyl)-4-piperidyl]-2-(2,4,5-trifluorophenyl)acetamide

IUPAC name

N-{1-[(34-dimethoxyphenyl)methyl]piperidin-4-yl}-2-(245-trifluorophenyl)acetamide

SMILES

COc(ccc(CN(CC1)CCC1NC(Cc(c(F)c1)cc(F)c1F)=O)c1)c1OC

InChI

InChI=1S/C22H25F3N2O3/c1-29-20-4-3-14(9-21(20)30-2)13-27-7-5-16(6-8-27)26-22(28)11-15-10-18(24)19(25)12-17(15)23/h3-4,9-10,12,16H,5-8,11,13H2,1-2H3,(H,26,28)

InChI Key

CREBKTRRAYARQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28028224

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

5

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-3.19

Polar Surface Area

42.965

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

Y042-1199 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 Y042-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1199?
Check Price and Availability of Y042-1199, 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 Y042-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1199
  • 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 Y042-1199 available by request