G656-0439 Screening compound: ETHYL 2-[9-(2H-1,3-BENZODIOXOL-5-YL)-6-CARBAMOYL-2-(3-FLUOROPHENYL)-8-OXO-8,9-DIHYDRO-7H-PURIN-7-YL]ACETATE

G656-0439 Screening compound: ETHYL 2-[9-(2H-1,3-BENZODIOXOL-5-YL)-6-CARBAMOYL-2-(3-FLUOROPHENYL)-8-OXO-8,9-DIHYDRO-7H-PURIN-7-YL]ACETATE
G656-0439 Screening compound: ETHYL 2-[9-(2H-1,3-BENZODIOXOL-5-YL)-6-CARBAMOYL-2-(3-FLUOROPHENYL)-8-OXO-8,9-DIHYDRO-7H-PURIN-7-YL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-0439
ETHYL 2-[9-(2H-1,3-BENZODIOXOL-5-YL)-6-CARBAMOYL-2-(3-FLUOROPHENYL)-8-OXO-8,9-DIHYDRO-7H-PURIN-7-YL]ACETATE

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

G656-0439

Molecular Formula

C23H18FN5O6 (C23 H18 FN5 O6)

Compound Name

ETHYL 2-[9-(2H-1,3-BENZODIOXOL-5-YL)-6-CARBAMOYL-2-(3-FLUOROPHENYL)-8-OXO-8,9-DIHYDRO-7H-PURIN-7-YL]ACETATE

IUPAC name

n/a

SMILES

CCOC(CN(c1c(C(N)=O)nc(-c2cccc(F)c2)nc1N1c(cc2)cc3c2OCO3)C1=O)=O

InChI

InChI=1S/C23H18FN5O6/c1-2-33-17(30)10-28-19-18(20(25)31)26-21(12-4-3-5-13(24)8-12)27-22(19)29(23(28)32)14-6-7-15-16(9-14)35-11-34-15/h3-9H,2,10-11H2,1H3,(H2,25,31)

InChI Key

MYNGBHRNZKYOCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-4.03

Polar Surface Area

110.352

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G656-0439 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with G656-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-0439?
Check Price and Availability of G656-0439, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G656-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-0439
  • 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 G656-0439 available by request