8019-0366 Screening compound: 3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine

8019-0366 Screening compound: 3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine
8019-0366 Screening compound: 3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0366
3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-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

8019-0366

Molecular Formula

C20H21FN2O3S (C20 H21 FN2 O3 S)

Compound Name

3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine

IUPAC name

3-(4-fluorobenzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-45-dimethyl-1H-pyrrol-2-amine

SMILES

Cc1c(C)n(Cc2cc(OC)ccc2)c(N)c1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C20H21FN2O3S/c1-13-14(2)23(12-15-5-4-6-17(11-15)26-3)20(22)19(13)27(24,25)18-9-7-16(21)8-10-18/h4-11H,12,22H2,1-3H3

InChI Key

YXQTWXBODURXPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

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

3.543

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.91

Polar Surface Area

58.232

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8019-0366 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0366?
Check Price and Availability of 8019-0366, 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 8019-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0366
  • 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 8019-0366 available by request