H025-3244 Screening compound: 1,3-diethyl-7-methyl-8-[(E)-2-(4-{2-oxo-2-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)piperazino]ethoxy}phenyl)-1-ethenyl]-3,7-dihydro-1H-purine-2,6-dione

H025-3244 Screening compound: 1,3-diethyl-7-methyl-8-[(E)-2-(4-{2-oxo-2-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)piperazino]ethoxy}phenyl)-1-ethenyl]-3,7-dihydro-1H-purine-2,6-dione
H025-3244 Screening compound: 1,3-diethyl-7-methyl-8-[(E)-2-(4-{2-oxo-2-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)piperazino]ethoxy}phenyl)-1-ethenyl]-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3244
1,3-diethyl-7-methyl-8-[(E)-2-(4-{2-oxo-2-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)piperazino]ethoxy}phenyl)-1-ethenyl]-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

H025-3244

Molecular Formula

C31H38N8O6 (C31 H38 N8 O6)

Compound Name

1,3-diethyl-7-methyl-8-[(E)-2-(4-{2-oxo-2-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)piperazino]ethoxy}phenyl)-1-ethenyl]-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

13-diethyl-7-methyl-8-[(1E)-2-(4-{2-oxo-2-[4-(136-trimethyl-24-dioxo-1234-tetrahydropyrimidin-5-yl)piperazin-1-yl]ethoxy}phenyl)ethenyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(c1c(C(N2CC)=O)n(C)c(/C=C/c(cc3)ccc3OCC(N(CC3)CCN3C(C(N3C)=O)=C(C)N(C)C3=O)=O)n1)C2=O

InChI

InChI=1S/C31H38N8O6/c1-7-38-27-26(29(42)39(8-2)31(38)44)34(5)23(32-27)14-11-21-9-12-22(13-10-21)45-19-24(40)36-15-17-37(18-16-36)25-20(3)33(4)30(43)35(6)28(25)41/h9-14H,7-8,15-19H2,1-6H3

InChI Key

MBKBYKMTAHUGAD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.067

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.47

Polar Surface Area

102.811

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.94

H025-3244 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3244 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of H025-3244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3244
  • 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 H025-3244 available by request