C692-0038 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0038 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0038 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0038
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-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

C692-0038

Molecular Formula

C19H23ClN6O2 (C19 H23 ClN6 O2)

Compound Name

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCn1c(C(NC(N2C)=O)=O)c2nc1CN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C19H23ClN6O2/c1-3-26-15(21-17-16(26)18(27)22-19(28)23(17)2)12-24-7-9-25(10-8-24)14-6-4-5-13(20)11-14/h4-6,11H,3,7-10,12H2,1-2H3,(H,22,27,28)

InChI Key

SJZXUTSEYCHLMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-3.45

Polar Surface Area

59.584

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C692-0038 in Drug Discovery

Included in Screening Libraries

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 C692-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0038?
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What is the minimum amount of C692-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0038
  • 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 C692-0038 available by request