8255-1147 Screening compound: 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8255-1147 Screening compound: 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8255-1147 Screening compound: 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-1147
8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-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

8255-1147

Molecular Formula

C20H26N6O4 (C20 H26 N6 O4)

Compound Name

8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-13-dimethyl-7-(propan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)n1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C20H26N6O4/c1-13(2)26-15(21-17-16(26)19(28)23(4)20(29)22(17)3)12-24-7-9-25(10-8-24)18(27)14-6-5-11-30-14/h5-6,11,13H,7-10,12H2,1-4H3

InChI Key

QBTQPSOKXNMUJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.044

Distribution Coefficient, logD

1.028

Water Solubility, LogSw

-1.68

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8255-1147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8255-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-1147?
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What is the minimum amount of 8255-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-1147
  • 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 8255-1147 available by request