G243-1664 Screening compound: ethyl 3-[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamido]benzoate

G243-1664 Screening compound: ethyl 3-[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamido]benzoate
G243-1664 Screening compound: ethyl 3-[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G243-1664
ethyl 3-[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamido]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

G243-1664

Molecular Formula

C23H31N3O5S (C23 H31 N3 O5 S)

Compound Name

ethyl 3-[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamido]benzoate

IUPAC name

ethyl 3-[4-(azepane-1-carbonyl)-125-trimethyl-1H-pyrrole-3-sulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)n(C)c(C)c2C(N2CCCCCC2)=O)(=O)=O)c1)=O

InChI

InChI=1S/C23H31N3O5S/c1-5-31-23(28)18-11-10-12-19(15-18)24-32(29,30)21-17(3)25(4)16(2)20(21)22(27)26-13-8-6-7-9-14-26/h10-12,15,24H,5-9,13-14H2,1-4H3

InChI Key

DPPSLHPYSJUJBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14990134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.96

Polar Surface Area

81.400

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G243-1664 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G243-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G243-1664?
Check Price and Availability of G243-1664, 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 G243-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G243-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G243-1664
  • 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 G243-1664 available by request