D226-0008 Screening compound: 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0008 Screening compound: 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0008 Screening compound: 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0008
7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-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

D226-0008

Molecular Formula

C23H23FN6O2 (C23 H23 FN6 O2)

Compound Name

7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc3ccccc3)c(N(CC3)CCN3c(cc3)ccc3F)n1)C2=O

InChI

InChI=1S/C23H23FN6O2/c1-27-20-19(21(31)26-23(27)32)30(15-16-5-3-2-4-6-16)22(25-20)29-13-11-28(12-14-29)18-9-7-17(24)8-10-18/h2-10H,11-15H2,1H3,(H,26,31,32)

InChI Key

SHJDEZVDFBJUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00687870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.92

Polar Surface Area

57.872

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D226-0008 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0008?
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What is the minimum amount of D226-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0008
  • 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 D226-0008 available by request