F379-3636 Screening compound: 2-{1,3,5-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

F379-3636 Screening compound: 2-{1,3,5-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
F379-3636 Screening compound: 2-{1,3,5-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F379-3636
2-{1,3,5-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

F379-3636

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

2-{1,3,5-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{135-trimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1234-tetrahydroisoquinoline

SMILES

CC(CCC1)CN1S(c1c(C)n(C)c(C(N(CC2)Cc3c2cccc3)=O)c1C)(=O)=O

InChI

InChI=1S/C23H31N3O3S/c1-16-8-7-12-26(14-16)30(28,29)22-17(2)21(24(4)18(22)3)23(27)25-13-11-19-9-5-6-10-20(19)15-25/h5-6,9-10,16H,7-8,11-15H2,1-4H3/t16-/m0/s1

InChI Key

VGSXXQWCYNTNNV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27121536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.32

Polar Surface Area

50.001

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

F379-3636 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F379-3636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F379-3636?
Check Price and Availability of F379-3636, 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 F379-3636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F379-3636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F379-3636
  • 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 F379-3636 available by request