D041-0001 Screening compound: 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D041-0001 Screening compound: 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D041-0001 Screening compound: 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0001
1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-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

D041-0001

Molecular Formula

C14H19N5O4S (C14 H19 N5 O4 S)

Compound Name

1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

137-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(SCC(N2CCOCC2)=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C14H19N5O4S/c1-16-10-11(17(2)14(22)18(3)12(10)21)15-13(16)24-8-9(20)19-4-6-23-7-5-19/h4-8H2,1-3H3

InChI Key

SPUHCLJEHZUIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.187

Distribution Coefficient, logD

0.187

Water Solubility, LogSw

-0.85

Polar Surface Area

68.397

Acid Dissociation Constant (pKa)

20.34

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D041-0001 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D041-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0001?
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What is the minimum amount of D041-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0001
  • 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 D041-0001 available by request