8019-8064 Screening compound: butyl 4-[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

8019-8064 Screening compound: butyl 4-[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate
8019-8064 Screening compound: butyl 4-[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8064
butyl 4-[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

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

8019-8064

Molecular Formula

C24H23N5O5 (C24 H23 N5 O5)

Compound Name

butyl 4-[7-(furan-2-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl]benzoate

IUPAC name

butyl 4-[7-(furan-2-yl)-13-dimethyl-24-dioxo-1H2H3H4H8H-imidazo[12-g]purin-8-yl]benzoate

SMILES

CCCCOC(c(cc1)ccc1-n1c2nc(N(C)C(N(C)C3=O)=O)c3n2cc1-c1ccco1)=O

InChI

InChI=1S/C24H23N5O5/c1-4-5-12-34-22(31)15-8-10-16(11-9-15)29-17(18-7-6-13-33-18)14-28-19-20(25-23(28)29)26(2)24(32)27(3)21(19)30/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

ZZGJQYKLMXFITC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.17

Polar Surface Area

72.969

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-8064 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8019-8064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8064?
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What is the minimum amount of 8019-8064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8064
  • 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 8019-8064 available by request