3329-2956 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3329-2956 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3329-2956 Screening compound: 8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-2956
8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-en-1-yl)-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

3329-2956

Molecular Formula

C12H17N5O3 (C12 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c(NCCO)nc(N(C)C(N2)=O)c1C2=O)=C

InChI

InChI=1S/C12H17N5O3/c1-7(2)6-17-8-9(14-11(17)13-4-5-18)16(3)12(20)15-10(8)19/h18H,1,4-6H2,2-3H3,(H,13,14)(H,15,19,20)

InChI Key

GKAGPBAFTGRDQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01877366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.800

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-1.31

Polar Surface Area

80.800

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3329-2956 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 3329-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-2956?
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What is the minimum amount of 3329-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-2956
  • 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 3329-2956 available by request