G544-0967 Screening compound: methyl 2-({[3-ethyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G544-0967 Screening compound: methyl 2-({[3-ethyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G544-0967 Screening compound: methyl 2-({[3-ethyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G544-0967
methyl 2-({[3-ethyl-6-(4-methylphenyl)-1-phenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

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

G544-0967

Molecular Formula

C33H31N5O3 (C33 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(C1c2ccc(C)cc2)C(Nc(cccc2)c2C(OC)=O)=O)c2-n3c1ccc3)nn2-c1ccccc1

InChI

InChI=1S/C33H31N5O3/c1-4-27-26-21-37(33(40)34-28-14-9-8-13-25(28)32(39)41-3)30(23-18-16-22(2)17-19-23)29-15-10-20-36(29)31(26)38(35-27)24-11-6-5-7-12-24/h5-20,30H,4,21H2,1-3H3,(H,34,40)/t30-/m1/s1

InChI Key

JUMDJVLBCXQCLY-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD15018212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.64

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

7.181

Distribution Coefficient, logD

7.181

Water Solubility, LogSw

-5.77

Polar Surface Area

62.160

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

G544-0967 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G544-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G544-0967?
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What is the minimum amount of G544-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G544-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G544-0967
  • 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 G544-0967 available by request