G242-0459 Screening compound: ethyl 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

G242-0459 Screening compound: ethyl 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate
G242-0459 Screening compound: ethyl 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G242-0459
ethyl 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

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

G242-0459

Molecular Formula

C20H31N3O5S (C20 H31 N3 O5 S)

Compound Name

ethyl 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[25-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1c(C)[nH]c(C)c1C(N1CCCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C20H31N3O5S/c1-4-28-20(25)16-8-12-23(13-9-16)29(26,27)18-15(3)21-14(2)17(18)19(24)22-10-6-5-7-11-22/h16,21H,4-13H2,1-3H3

InChI Key

QCYFYGWVZKSHNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14989664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.45

Polar Surface Area

80.139

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

G242-0459 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G242-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G242-0459?
Check Price and Availability of G242-0459, 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 G242-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G242-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G242-0459
  • 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 G242-0459 available by request