3448-6545 Screening compound: 1,3,7-trimethyl-8-{[2-(octyloxy)ethyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3448-6545 Screening compound: 1,3,7-trimethyl-8-{[2-(octyloxy)ethyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3448-6545 Screening compound: 1,3,7-trimethyl-8-{[2-(octyloxy)ethyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6545
1,3,7-trimethyl-8-{[2-(octyloxy)ethyl]amino}-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

3448-6545

Molecular Formula

C18H31N5O3 (C18 H31 N5 O3)

Compound Name

1,3,7-trimethyl-8-{[2-(octyloxy)ethyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

137-trimethyl-8-{[2-(octyloxy)ethyl]amino}-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCCCOCCNc1nc(N(C)C(N(C)C2=O)=O)c2n1C

InChI

InChI=1S/C18H31N5O3/c1-5-6-7-8-9-10-12-26-13-11-19-17-20-15-14(21(17)2)16(24)23(4)18(25)22(15)3/h5-13H2,1-4H3,(H,19,20)

InChI Key

PGDRZRRHCDHRIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-3.62

Polar Surface Area

64.312

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

References: we are preparing a list of scientific research reports with 3448-6545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6545?
Check Price and Availability of 3448-6545, 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 3448-6545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6545
  • 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 3448-6545 available by request