4236-0997 Screening compound: 7-ethyl-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-0997 Screening compound: 7-ethyl-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-0997 Screening compound: 7-ethyl-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-0997
7-ethyl-8-(ethylamino)-1,3-dimethyl-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

4236-0997

Molecular Formula

C11H17N5O2 (C11 H17 N5 O2)

Compound Name

7-ethyl-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-ethyl-8-(ethylamino)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCNc1nc(N(C)C(N(C)C2=O)=O)c2n1CC

InChI

InChI=1S/C11H17N5O2/c1-5-12-10-13-8-7(16(10)6-2)9(17)15(4)11(18)14(8)3/h5-6H2,1-4H3,(H,12,13)

InChI Key

GVGGOCKWWDYOBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.52

Polar Surface Area

54.740

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

4236-0997 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4236-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-0997?
Check Price and Availability of 4236-0997, 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 4236-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-0997
  • 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 4236-0997 available by request