G242-0090 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

G242-0090 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline
G242-0090 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G242-0090
1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

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

G242-0090

Molecular Formula

C20H25N3O3S (C20 H25 N3 O3 S)

Compound Name

1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{[25-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1234-tetrahydroquinoline

SMILES

Cc1c(C(N2CCCC2)=O)c(S(N(CCC2)c3c2cccc3)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C20H25N3O3S/c1-14-18(20(24)22-11-5-6-12-22)19(15(2)21-14)27(25,26)23-13-7-9-16-8-3-4-10-17(16)23/h3-4,8,10,21H,5-7,9,11-13H2,1-2H3

InChI Key

IJDWKJGDRVAWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14989566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-2.71

Polar Surface Area

59.193

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G242-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with G242-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G242-0090?
Check Price and Availability of G242-0090, 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 G242-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G242-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G242-0090
  • 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 G242-0090 available by request