G114-0052 Screening compound: ethyl 3-({3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanoyl}amino)benzoate

G114-0052 Screening compound: ethyl 3-({3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanoyl}amino)benzoate
G114-0052 Screening compound: ethyl 3-({3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G114-0052
ethyl 3-({3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanoyl}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

G114-0052

Molecular Formula

C23H24N2O6S (C23 H24 N2 O6 S)

Compound Name

ethyl 3-({3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanoyl}amino)benzoate

IUPAC name

ethyl 3-[3-({11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-6-yl}sulfonyl)propanamido]benzoate

SMILES

CCOC(c1cccc(NC(CCS(c(cc2CC3)cc(CC4)c2N3C4=O)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H24N2O6S/c1-2-31-23(28)17-4-3-5-18(12-17)24-20(26)9-11-32(29,30)19-13-15-6-7-21(27)25-10-8-16(14-19)22(15)25/h3-5,12-14H,2,6-11H2,1H3,(H,24,26)

InChI Key

AYRPSKOFFRMBGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.56

Polar Surface Area

90.509

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G114-0052 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G114-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0052?
Check Price and Availability of G114-0052, 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 G114-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0052
  • 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 G114-0052 available by request