8019-5699 Screening compound: 7-(2,4-dichlorophenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8019-5699 Screening compound: 7-(2,4-dichlorophenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8019-5699 Screening compound: 7-(2,4-dichlorophenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5699
7-(2,4-dichlorophenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-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

8019-5699

Molecular Formula

C22H17Cl2N5O3 (C22 H17 Cl2 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(cc(-c(ccc(Cl)c3)c3Cl)n3-c(cccc4)c4OC)c3n1)C2=O

InChI

InChI=1S/C22H17Cl2N5O3/c1-26-19-18(20(30)27(2)22(26)31)28-11-16(13-9-8-12(23)10-14(13)24)29(21(28)25-19)15-6-4-5-7-17(15)32-3/h4-11H,1-3H3

InChI Key

XHSTVGYORHSUAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.81

Polar Surface Area

50.672

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8019-5699 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 8019-5699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5699?
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What is the minimum amount of 8019-5699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5699
  • 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 8019-5699 available by request