G544-0458 Screening compound: ethyl 3-({[3-ethyl-6-(4-fluorophenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

G544-0458 Screening compound: ethyl 3-({[3-ethyl-6-(4-fluorophenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate
G544-0458 Screening compound: ethyl 3-({[3-ethyl-6-(4-fluorophenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-0458
ethyl 3-({[3-ethyl-6-(4-fluorophenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)propanoate

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

G544-0458

Molecular Formula

C29H30FN5O3 (C29 H30 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(C1c(cc2)ccc2F)C(NCCC(OCC)=O)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C29H30FN5O3/c1-3-24-23-19-34(29(37)31-17-16-26(36)38-4-2)27(20-12-14-21(30)15-13-20)25-11-8-18-33(25)28(23)35(32-24)22-9-6-5-7-10-22/h5-15,18,27H,3-4,16-17,19H2,1-2H3,(H,31,37)/t27-/m1/s1

InChI Key

VWXZWEQBLMHBQZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD27143466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.37

Polar Surface Area

63.278

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G544-0458 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

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

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G544-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0458?
Check Price and Availability of G544-0458, 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 G544-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0458
  • 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 G544-0458 available by request