G118-0899 Screening compound: ethyl 4-[({[4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

G118-0899 Screening compound: ethyl 4-[({[4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate
G118-0899 Screening compound: ethyl 4-[({[4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0899
ethyl 4-[({[4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

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

G118-0899

Molecular Formula

C24H31N3O3 (C24 H31 N3 O3)

Compound Name

ethyl 4-[({[4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)methyl]-1-cyclohexanecarboxylate

IUPAC name

ethyl 4-[({7-methyl-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carbonyl}amino)methyl]cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(N(C2)C(C)c3cccn3-c3c2cccc3)=O)CC1)=O

InChI

InChI=1S/C24H31N3O3/c1-3-30-23(28)19-12-10-18(11-13-19)15-25-24(29)27-16-20-7-4-5-8-22(20)26-14-6-9-21(26)17(27)2/h4-9,14,17-19H,3,10-13,15-16H2,1-2H3,(H,25,29)/t17-,18?,19?/m0/s1

InChI Key

OVBHPHRVKVMMBM-VIQWUECVSA-N

MDL Number (MFCD)

MFCD27209669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.39

Polar Surface Area

48.702

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G118-0899 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

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

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G118-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0899?
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What is the minimum amount of G118-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0899
  • 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 G118-0899 available by request