C470-0082 Screening compound: 7-benzyl-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0082 Screening compound: 7-benzyl-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0082 Screening compound: 7-benzyl-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0082
7-benzyl-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-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

C470-0082

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

7-benzyl-8-[(26-dimethylmorpholin-4-yl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CC1OC(C)CN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc2ccccc2)C1

InChI

InChI=1S/C21H27N5O3/c1-14-10-25(11-15(2)29-14)13-17-22-19-18(20(27)24(4)21(28)23(19)3)26(17)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3

InChI Key

MURHHXZCSASCKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.30

Polar Surface Area

54.345

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

C470-0082 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 C470-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0082?
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What is the minimum amount of C470-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0082
  • 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 C470-0082 available by request