4554-6901 Screening compound: 8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4554-6901 Screening compound: 8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4554-6901 Screening compound: 8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-6901
8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-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

4554-6901

Molecular Formula

C19H25N5O3 (C19 H25 N5 O3)

Compound Name

8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CCCc3ccccc3)c(NCCCOC)n1)C2=O

InChI

InChI=1S/C19H25N5O3/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-11-7-13-27-2)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,20,21)(H,22,25,26)

InChI Key

UMRGHGAXWBFUTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03417373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.32

Polar Surface Area

72.194

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

4554-6901 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4554-6901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-6901?
Check Price and Availability of 4554-6901, 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 4554-6901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-6901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-6901
  • 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 4554-6901 available by request