G544-0739 Screening compound: methyl 3-({[3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)-2-thiophenecarboxylate

G544-0739 Screening compound: methyl 3-({[3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)-2-thiophenecarboxylate
G544-0739 Screening compound: methyl 3-({[3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-0739
methyl 3-({[3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)-2-thiophenecarboxylate

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

G544-0739

Molecular Formula

C29H25N5O3S (C29 H25 N5 O3 S)

Compound Name

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

IUPAC name

methyl 3-({5-methyl-39-diphenyl-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carbonyl}amino)thiophene-2-carboxylate

SMILES

Cc(c(CN(C1c2ccccc2)C(Nc2c(C(OC)=O)scc2)=O)c2-n3c1ccc3)nn2-c1ccccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.861

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.58

Polar Surface Area

62.490

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

G544-0739 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 G544-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0739?
Check Price and Availability of G544-0739, 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 G544-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0739
  • 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 G544-0739 available by request