G118-0566 Screening compound: methyl 3-({[4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate

G118-0566 Screening compound: methyl 3-({[4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate
G118-0566 Screening compound: methyl 3-({[4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0566
methyl 3-({[4-[4-(methylsulfanyl)phenyl]-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

G118-0566

Molecular Formula

C28H25N3O3S (C28 H25 N3 O3 S)

Compound Name

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

IUPAC name

methyl 3-({7-[4-(methylsulfanyl)phenyl]-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)ccc2SC)=O)c1)=O

InChI

InChI=1S/C28H25N3O3S/c1-34-27(32)20-8-5-9-22(17-20)29-28(33)31-18-21-7-3-4-10-24(21)30-16-6-11-25(30)26(31)19-12-14-23(35-2)15-13-19/h3-17,26H,18H2,1-2H3,(H,29,33)/t26-/m1/s1

InChI Key

MDWQSUOSURSESI-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14981204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.751

Distribution Coefficient, logD

6.751

Water Solubility, LogSw

-5.70

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

14.30

G118-0566 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0566?
Check Price and Availability of G118-0566, 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 G118-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0566
  • 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 G118-0566 available by request