Y041-9110 Screening compound: 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

Y041-9110 Screening compound: 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
Y041-9110 Screening compound: 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9110
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

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

Y041-9110

Molecular Formula

C22H26ClNO4 (C22 H26 ClNO4)

Compound Name

1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

IUPAC name

1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(34-dimethoxyphenyl)propan-1-one

SMILES

COc(ccc(CCC(N(CC1)CCC1(c(cc1)ccc1Cl)O)=O)c1)c1OC

InChI

InChI=1S/C22H26ClNO4/c1-27-19-9-3-16(15-20(19)28-2)4-10-21(25)24-13-11-22(26,12-14-24)17-5-7-18(23)8-6-17/h3,5-9,15,26H,4,10-14H2,1-2H3

InChI Key

QOMLSYIXUFEWNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28986267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.32

Polar Surface Area

46.454

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

Y041-9110 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 Y041-9110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9110?
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What is the minimum amount of Y041-9110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9110
  • 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 Y041-9110 available by request