7741-1417 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7741-1417 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7741-1417 Screening compound: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7741-1417
1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-[(morpholin-4-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

7741-1417

Molecular Formula

C18H28N6O4 (C18 H28 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(CCN3CCOCC3)c(CN3CCOCC3)n1)C2=O

InChI

InChI=1S/C18H28N6O4/c1-20-16-15(17(25)21(2)18(20)26)24(4-3-22-5-9-27-10-6-22)14(19-16)13-23-7-11-28-12-8-23/h3-13H2,1-2H3

InChI Key

FMNIBPJRQMTRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

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

-0.320

Distribution Coefficient, logD

-0.322

Water Solubility, LogSw

0.38

Polar Surface Area

67.191

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

7741-1417 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
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 7741-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7741-1417?
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What is the minimum amount of 7741-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7741-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7741-1417
  • 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 7741-1417 available by request