3346-2496 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3346-2496 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3346-2496 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2496
8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-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

3346-2496

Molecular Formula

C13H21N5O3 (C13 H21 N5 O3)

Compound Name

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

IUPAC name

8-[(2-hydroxyethyl)amino]-3-methyl-7-pentyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCn1c(NCCO)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C13H21N5O3/c1-3-4-5-7-18-9-10(15-12(18)14-6-8-19)17(2)13(21)16-11(9)20/h19H,3-8H2,1-2H3,(H,14,15)(H,16,20,21)

InChI Key

QYHQHDWCPOHRKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02983992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.533

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-1.69

Polar Surface Area

80.779

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

3346-2496 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3346-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2496?
Check Price and Availability of 3346-2496, 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 3346-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2496
  • 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 3346-2496 available by request