Y043-8651 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Y043-8651 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
Y043-8651 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8651
3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

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

Y043-8651

Molecular Formula

C22H28ClN3O4 (C22 H28 ClN3 O4)

Compound Name

3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

IUPAC name

3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-1-methyl-13-diazaspiro[4.5]decane-24-dione

SMILES

CN(C1(CCCCC1)C(N1CC(N(CC2)CCC2(c(cc2)ccc2Cl)O)=O)=O)C1=O

InChI

InChI=1S/C22H28ClN3O4/c1-24-20(29)26(19(28)21(24)9-3-2-4-10-21)15-18(27)25-13-11-22(30,12-14-25)16-5-7-17(23)8-6-16/h5-8,30H,2-4,9-15H2,1H3

InChI Key

AJQHWGSHBAABKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.92

Polar Surface Area

63.457

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

Y043-8651 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-8651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8651?
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What is the minimum amount of Y043-8651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8651
  • 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 Y043-8651 available by request