8017-3357 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8017-3357 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8017-3357 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3357
6-ethyl-1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-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

8017-3357

Molecular Formula

C20H21N5O2 (C20 H21 N5 O2)

Compound Name

6-ethyl-1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

6-ethyl-13-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CCc1c(-c2ccccc2)n(CC=C)c2nc(N(C)C(N(C)C3=O)=O)c3n12

InChI

InChI=1S/C20H21N5O2/c1-5-12-24-15(13-10-8-7-9-11-13)14(6-2)25-16-17(21-19(24)25)22(3)20(27)23(4)18(16)26/h5,7-11H,1,6,12H2,2-4H3

InChI Key

MEBXWLWTKRUUMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-3.93

Polar Surface Area

45.836

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-3357 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-3357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3357?
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What is the minimum amount of 8017-3357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3357
  • 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 8017-3357 available by request