D114-0012 Screening compound: 1-{3-[diethyl(methyl)silyl]propyl}-3,7-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D114-0012 Screening compound: 1-{3-[diethyl(methyl)silyl]propyl}-3,7-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D114-0012 Screening compound: 1-{3-[diethyl(methyl)silyl]propyl}-3,7-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D114-0012
1-{3-[diethyl(methyl)silyl]propyl}-3,7-dimethyl-8-(morpholin-4-yl)-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

D114-0012

Molecular Formula

C19H33N5O3Si (C19 H33 N5 O3 Si)

Compound Name

1-{3-[diethyl(methyl)silyl]propyl}-3,7-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-{3-[diethyl(methyl)silyl]propyl}-37-dimethyl-8-(morpholin-4-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC[Si](C)(CC)CCCN(C(c(n1C)c(N2C)nc1N1CCOCC1)=O)C2=O

InChI

InChI=1S/C19H33N5O3Si/c1-6-28(5,7-2)14-8-9-24-17(25)15-16(22(4)19(24)26)20-18(21(15)3)23-10-12-27-13-11-23/h6-14H2,1-5H3

InChI Key

YPPMMQQJEWVROJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05820024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-2.73

Polar Surface Area

54.900

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

D114-0012 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D114-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D114-0012?
Check Price and Availability of D114-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D114-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D114-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D114-0012
  • 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 D114-0012 available by request