G544-0845 Screening compound: 6-(4-isopropylphenyl)-N~5~-(3-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G544-0845 Screening compound: 6-(4-isopropylphenyl)-N~5~-(3-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G544-0845 Screening compound: 6-(4-isopropylphenyl)-N~5~-(3-methoxyphenyl)-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 G544-0845
6-(4-isopropylphenyl)-N~5~-(3-methoxyphenyl)-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

G544-0845

Molecular Formula

C33H33N5O2 (C33 H33 N5 O2)

Compound Name

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

IUPAC name

N-(3-methoxyphenyl)-5-methyl-3-phenyl-9-[4-(propan-2-yl)phenyl]-1348-tetraazatricyclo[8.3.0.0^{26}]trideca-2(6)41012-tetraene-8-carboxamide

SMILES

CC(C)c1ccc(C(c2cccn2-c2c(C3)c(C)nn2-c2ccccc2)N3C(Nc2cc(OC)ccc2)=O)cc1

InChI

InChI=1S/C33H33N5O2/c1-22(2)24-15-17-25(18-16-24)31-30-14-9-19-36(30)32-29(23(3)35-38(32)27-11-6-5-7-12-27)21-37(31)33(39)34-26-10-8-13-28(20-26)40-4/h5-20,22,31H,21H2,1-4H3,(H,34,39)/t31-/m1/s1

InChI Key

NIVZWTLBARIPSK-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD15018136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.447

Distribution Coefficient, logD

7.447

Water Solubility, LogSw

-5.66

Polar Surface Area

48.539

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.20

G544-0845 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G544-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0845?
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What is the minimum amount of G544-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0845
  • 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 G544-0845 available by request