8012-9838 Screening compound: 7-(4-chlorophenyl)-1,3-dimethyl-8-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8012-9838 Screening compound: 7-(4-chlorophenyl)-1,3-dimethyl-8-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8012-9838 Screening compound: 7-(4-chlorophenyl)-1,3-dimethyl-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 8012-9838
7-(4-chlorophenyl)-1,3-dimethyl-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

8012-9838

Molecular Formula

C22H15ClF3N5O2 (C22 H15 ClF3 N5 O2)

Compound Name

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

IUPAC name

7-(4-chlorophenyl)-13-dimethyl-8-[3-(trifluoromethyl)phenyl]-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(cc(-c(cc3)ccc3Cl)n3-c4cc(C(F)(F)F)ccc4)c3n1)C2=O

InChI

InChI=1S/C22H15ClF3N5O2/c1-28-18-17(19(32)29(2)21(28)33)30-11-16(12-6-8-14(23)9-7-12)31(20(30)27-18)15-5-3-4-13(10-15)22(24,25)26/h3-11H,1-2H3

InChI Key

HWMKGBNPKKQRAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-5.31

Polar Surface Area

43.342

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8012-9838 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8012-9838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9838?
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What is the minimum amount of 8012-9838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9838
  • 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 8012-9838 available by request