G243-1802 Screening compound: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide

G243-1802 Screening compound: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
G243-1802 Screening compound: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G243-1802
4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide

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

G243-1802

Molecular Formula

C24H35N3O5S (C24 H35 N3 O5 S)

Compound Name

4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide

IUPAC name

4-(azepane-1-carbonyl)-N-(25-diethoxyphenyl)-125-trimethyl-1H-pyrrole-3-sulfonamide

SMILES

CCOc(cc1)cc(NS(c2c(C)n(C)c(C)c2C(N2CCCCCC2)=O)(=O)=O)c1OCC

InChI

InChI=1S/C24H35N3O5S/c1-6-31-19-12-13-21(32-7-2)20(16-19)25-33(29,30)23-18(4)26(5)17(3)22(23)24(28)27-14-10-8-9-11-15-27/h12-13,16,25H,6-11,14-15H2,1-5H3

InChI Key

HISHJGZUGQNOAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14990208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-4.01

Polar Surface Area

74.282

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

G243-1802 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G243-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G243-1802?
Check Price and Availability of G243-1802, 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 G243-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G243-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G243-1802
  • 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 G243-1802 available by request