G544-0505 Screening compound: ethyl 2-({[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate

G544-0505 Screening compound: ethyl 2-({[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate
G544-0505 Screening compound: ethyl 2-({[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-0505
ethyl 2-({[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)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

G544-0505

Molecular Formula

C27H26FN5O3 (C27 H26 FN5 O3)

Compound Name

ethyl 2-({[6-(4-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate

IUPAC name

ethyl 2-{[9-(4-fluorophenyl)-5-methyl-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carbonyl]amino}acetate

SMILES

CCOC(CNC(N(Cc1c(-n2c3ccc2)n(-c2ccccc2)nc1C)C3c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C27H26FN5O3/c1-3-36-24(34)16-29-27(35)32-17-22-18(2)30-33(21-8-5-4-6-9-21)26(22)31-15-7-10-23(31)25(32)19-11-13-20(28)14-12-19/h4-15,25H,3,16-17H2,1-2H3,(H,29,35)/t25-/m1/s1

InChI Key

MZKVOPTWCLMGNL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27143479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.28

Polar Surface Area

62.748

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G544-0505 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0505?
Check Price and Availability of G544-0505, 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 G544-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0505
  • 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 G544-0505 available by request