8013-2394 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8013-2394 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8013-2394 Screening compound: 6-ethyl-1,3-dimethyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2394
6-ethyl-1,3-dimethyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-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

8013-2394

Molecular Formula

C24H20F3N5O2 (C24 H20 F3 N5 O2)

Compound Name

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

IUPAC name

6-ethyl-13-dimethyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CCc(n1c2nc(N(C)C(N3C)=O)c1C3=O)c(-c1ccccc1)n2-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C24H20F3N5O2/c1-4-17-18(14-9-6-5-7-10-14)31(16-12-8-11-15(13-16)24(25,26)27)22-28-20-19(32(17)22)21(33)30(3)23(34)29(20)2/h5-13H,4H2,1-3H3

InChI Key

DFLUJPRLNKKGHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.45

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

5.243

Distribution Coefficient, logD

5.243

Water Solubility, LogSw

-5.11

Polar Surface Area

44.975

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8013-2394 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8013-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2394?
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What is the minimum amount of 8013-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2394
  • 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 8013-2394 available by request