8018-6950 Screening compound: 1,3-dimethyl-8-(2-methylphenyl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8018-6950 Screening compound: 1,3-dimethyl-8-(2-methylphenyl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8018-6950 Screening compound: 1,3-dimethyl-8-(2-methylphenyl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6950
1,3-dimethyl-8-(2-methylphenyl)-7-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

8018-6950

Molecular Formula

C22H19N5O2 (C22 H19 N5 O2)

Compound Name

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

IUPAC name

13-dimethyl-8-(2-methylphenyl)-7-phenyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

Cc(cccc1)c1-n1c2nc(N(C)C(N(C)C3=O)=O)c3n2cc1-c1ccccc1

InChI

InChI=1S/C22H19N5O2/c1-14-9-7-8-12-16(14)27-17(15-10-5-4-6-11-15)13-26-18-19(23-21(26)27)24(2)22(29)25(3)20(18)28/h4-13H,1-3H3

InChI Key

CNLJGMRBDRFRIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.00

Polar Surface Area

43.042

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8018-6950 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 8018-6950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6950?
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What is the minimum amount of 8018-6950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6950
  • 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 8018-6950 available by request