7741-2655 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7741-2655 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7741-2655 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7741-2655
1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)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

7741-2655

Molecular Formula

C24H33N7O3 (C24 H33 N7 O3)

Compound Name

1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(4-phenylpiperazin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCN3CCOCC3)c(CN(CC3)CCN3c3ccccc3)n1)C2=O

InChI

InChI=1S/C24H33N7O3/c1-26-22-21(23(32)27(2)24(26)33)31(13-10-28-14-16-34-17-15-28)20(25-22)18-29-8-11-30(12-9-29)19-6-4-3-5-7-19/h3-7H,8-18H2,1-2H3

InChI Key

WHKRFCMSRHWNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06407425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-1.87

Polar Surface Area

62.543

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

7741-2655 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7741-2655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7741-2655?
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What is the minimum amount of 7741-2655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7741-2655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7741-2655
  • 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 7741-2655 available by request