D090-0133 Screening compound: 3-[3-(dimethylamino)propyl]-1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D090-0133 Screening compound: 3-[3-(dimethylamino)propyl]-1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D090-0133 Screening compound: 3-[3-(dimethylamino)propyl]-1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0133
3-[3-(dimethylamino)propyl]-1-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

D090-0133

Molecular Formula

C11H17N5O2 (C11 H17 N5 O2)

Compound Name

3-[3-(dimethylamino)propyl]-1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-[3-(dimethylamino)propyl]-1-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(C)CCCN(c1c(C(N2C)=O)[nH]cn1)C2=O

InChI

InChI=1S/C11H17N5O2/c1-14(2)5-4-6-16-9-8(12-7-13-9)10(17)15(3)11(16)18/h7H,4-6H2,1-3H3,(H,12,13)

InChI Key

HHKKEWZCOVHCKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924952

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.074

Distribution Coefficient, logD

-1.700

Water Solubility, LogSw

-1.41

Polar Surface Area

58.392

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D090-0133 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D090-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0133?
Check Price and Availability of D090-0133, 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 D090-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0133
  • 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 D090-0133 available by request