G118-0242 Screening compound: methyl 3-({[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate

G118-0242 Screening compound: methyl 3-({[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate
G118-0242 Screening compound: methyl 3-({[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0242
methyl 3-({[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-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

G118-0242

Molecular Formula

C27H22ClN3O3 (C27 H22 ClN3 O3)

Compound Name

methyl 3-({[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate

IUPAC name

methyl 3-{[7-(4-chlorophenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carbonyl]amino}benzoate

SMILES

COC(c1cccc(NC(N(Cc(cccc2)c2-n2c3ccc2)C3c(cc2)ccc2Cl)=O)c1)=O

InChI

InChI=1S/C27H22ClN3O3/c1-34-26(32)19-7-4-8-22(16-19)29-27(33)31-17-20-6-2-3-9-23(20)30-15-5-10-24(30)25(31)18-11-13-21(28)14-12-18/h2-16,25H,17H2,1H3,(H,29,33)/t25-/m1/s1

InChI Key

CNZQVQPTBFHPLH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27209529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.627

Distribution Coefficient, logD

6.627

Water Solubility, LogSw

-6.40

Polar Surface Area

47.745

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

G118-0242 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with G118-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0242?
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What is the minimum amount of G118-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0242
  • 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 G118-0242 available by request