8018-9948 Screening compound: 3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine

8018-9948 Screening compound: 3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine
8018-9948 Screening compound: 3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9948
3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine

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

8018-9948

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine

IUPAC name

3-(benzenesulfonyl)-45-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrol-2-amine

SMILES

Cc1c(C)n(CCN2CCCC2)c(N)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C18H25N3O2S/c1-14-15(2)21(13-12-20-10-6-7-11-20)18(19)17(14)24(22,23)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-13,19H2,1-2H3

InChI Key

LQNKVWOQGMKGCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

-0.327

Water Solubility, LogSw

-2.39

Polar Surface Area

55.015

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

9.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8018-9948 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

STING Agonist Library (5895 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-9948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9948?
Check Price and Availability of 8018-9948, 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 8018-9948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9948
  • 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 8018-9948 available by request