F062-0072 Screening compound: 1,3,5-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-sulfonamide

F062-0072 Screening compound: 1,3,5-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-sulfonamide
F062-0072 Screening compound: 1,3,5-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F062-0072
1,3,5-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-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

F062-0072

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

1,3,5-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-sulfonamide

IUPAC name

135-trimethyl-N-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyrazole-4-sulfonamide

SMILES

CC(CCCC1)N1C(CN(c1ccc(C)cc1)S(c1c(C)n(C)nc1C)(=O)=O)=O

InChI

InChI=1S/C21H30N4O3S/c1-15-9-11-19(12-10-15)25(14-20(26)24-13-7-6-8-16(24)2)29(27,28)21-17(3)22-23(5)18(21)4/h9-12,16H,6-8,13-14H2,1-5H3/t16-/m0/s1

InChI Key

NJBQKRLEPAIPJO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27097812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.53

Polar Surface Area

62.309

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

F062-0072 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F062-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F062-0072?
Check Price and Availability of F062-0072, 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 F062-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F062-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F062-0072
  • 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 F062-0072 available by request