8019-4942 Screening compound: 7-(2,4-dichlorophenyl)-8-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8019-4942 Screening compound: 7-(2,4-dichlorophenyl)-8-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8019-4942 Screening compound: 7-(2,4-dichlorophenyl)-8-[2-(3,4-dimethoxyphenyl)ethyl]-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 8019-4942
7-(2,4-dichlorophenyl)-8-[2-(3,4-dimethoxyphenyl)ethyl]-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

8019-4942

Molecular Formula

C25H23Cl2N5O4 (C25 H23 Cl2 N5 O4)

Compound Name

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

IUPAC name

7-(24-dichlorophenyl)-8-[2-(34-dimethoxyphenyl)ethyl]-13-dimethyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(cc(-c(ccc(Cl)c3)c3Cl)n3CCc(cc4)cc(OC)c4OC)c3n1)C2=O

InChI

InChI=1S/C25H23Cl2N5O4/c1-29-22-21(23(33)30(2)25(29)34)32-13-18(16-7-6-15(26)12-17(16)27)31(24(32)28-22)10-9-14-5-8-19(35-3)20(11-14)36-4/h5-8,11-13H,9-10H2,1-4H3

InChI Key

IQDHCAPYNCGXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04180306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.94

Polar Surface Area

59.193

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8019-4942 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-4942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4942?
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What is the minimum amount of 8019-4942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4942
  • 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 8019-4942 available by request