G544-1334 Screening compound: 6-(3-fluorophenyl)-N~5~-isopentyl-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-1334 Screening compound: 6-(3-fluorophenyl)-N~5~-isopentyl-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-1334 Screening compound: 6-(3-fluorophenyl)-N~5~-isopentyl-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-1334
6-(3-fluorophenyl)-N~5~-isopentyl-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

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

G544-1334

Molecular Formula

C28H30FN5O (C28 H30 FN5 O)

Compound Name

6-(3-fluorophenyl)-N~5~-isopentyl-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

9-(3-fluorophenyl)-5-methyl-N-(3-methylbutyl)-3-phenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

CC(C)CCNC(N(Cc1c(-n2c3ccc2)n(-c2ccccc2)nc1C)C3c1cccc(F)c1)=O

InChI

InChI=1S/C28H30FN5O/c1-19(2)14-15-30-28(35)33-18-24-20(3)31-34(23-11-5-4-6-12-23)27(24)32-16-8-13-25(32)26(33)21-9-7-10-22(29)17-21/h4-13,16-17,19,26H,14-15,18H2,1-3H3,(H,30,35)/t26-/m1/s1

InChI Key

RCFOSYZPGAVHOJ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27143621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.400

Distribution Coefficient, logD

6.400

Water Solubility, LogSw

-5.63

Polar Surface Area

42.431

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G544-1334 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-1334?
Check Price and Availability of G544-1334, 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 G544-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-1334
  • 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 G544-1334 available by request