G243-1825 Screening compound: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide

G243-1825 Screening compound: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
G243-1825 Screening compound: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G243-1825
4-(azepane-1-carbonyl)-N-benzyl-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

G243-1825

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCCCCC2)=O)c(S(NCc2ccccc2)(=O)=O)c(C)n1C

InChI

InChI=1S/C21H29N3O3S/c1-16-19(21(25)24-13-9-4-5-10-14-24)20(17(2)23(16)3)28(26,27)22-15-18-11-7-6-8-12-18/h6-8,11-12,22H,4-5,9-10,13-15H2,1-3H3

InChI Key

NYXMJFQZXARDJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14990215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-2.89

Polar Surface Area

61.755

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G243-1825 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 G243-1825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G243-1825?
Check Price and Availability of G243-1825, 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 G243-1825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G243-1825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G243-1825
  • 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 G243-1825 available by request