Y032-0317 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Y032-0317 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Y032-0317 Screening compound: 7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0317
7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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

Y032-0317

Molecular Formula

C19H21ClN6O3 (C19 H21 ClN6 O3)

Compound Name

7-{2-[4-(3-chlorophenyl)piperazino]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

7-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(N(CC3)CCN3c3cccc(Cl)c3)=O)cn1)C2=O

InChI

InChI=1S/C19H21ClN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-8-6-24(7-9-25)14-5-3-4-13(20)10-14/h3-5,10,12H,6-9,11H2,1-2H3

InChI Key

GJFFNQLXMNOKFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-2.43

Polar Surface Area

62.613

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

Y032-0317 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0317?
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What is the minimum amount of Y032-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0317
  • 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 Y032-0317 available by request