C692-0646 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0646 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0646 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0646
8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-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

C692-0646

Molecular Formula

C19H30N6O4 (C19 H30 N6 O4)

Compound Name

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

IUPAC name

8-[(26-dimethylmorpholin-4-yl)methyl]-3-methyl-7-[2-(morpholin-4-yl)ethyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC1OC(C)CN(Cc2nc(N(C)C(NC3=O)=O)c3n2CCN2CCOCC2)C1

InChI

InChI=1S/C19H30N6O4/c1-13-10-24(11-14(2)29-13)12-15-20-17-16(18(26)21-19(27)22(17)3)25(15)5-4-23-6-8-28-9-7-23/h13-14H,4-12H2,1-3H3,(H,21,26,27)

InChI Key

FIUZAHKDVNBNIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.338

Distribution Coefficient, logD

-0.345

Water Solubility, LogSw

-1.30

Polar Surface Area

75.129

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.70

C692-0646 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • 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 C692-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0646?
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What is the minimum amount of C692-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0646
  • 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 C692-0646 available by request