SC02-0126 Screening compound: N-[1-[2-(1-ethyl-4-piperidyl)acetyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide

SC02-0126 Screening compound: N-[1-[2-(1-ethyl-4-piperidyl)acetyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide
SC02-0126 Screening compound: N-[1-[2-(1-ethyl-4-piperidyl)acetyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0126
N-[1-[2-(1-ethyl-4-piperidyl)acetyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide

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

SC02-0126

Molecular Formula

C23H34FN3O3 (C23 H34 FN3 O3)

Compound Name

N-[1-[2-(1-ethyl-4-piperidyl)acetyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide

IUPAC name

N-{1-[2-(1-ethylpiperidin-4-yl)acetyl]-3-(2-methoxyethyl)pyrrolidin-3-yl}-4-fluorobenzamide

SMILES

CCN1CCC(CC(N(CC2)CC2(CCOC)NC(c(cc2)ccc2F)=O)=O)CC1

InChI

InChI=1S/C23H34FN3O3/c1-3-26-12-8-18(9-13-26)16-21(28)27-14-10-23(17-27,11-15-30-2)25-22(29)19-4-6-20(24)7-5-19/h4-7,18H,3,8-17H2,1-2H3,(H,25,29)/t23-/m1/s1

InChI Key

OZUHXSNAQGREOK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32252407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.272

Distribution Coefficient, logD

0.210

Water Solubility, LogSw

-2.70

Polar Surface Area

52.993

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SC02-0126 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC02-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0126?
Check Price and Availability of SC02-0126, 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 SC02-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0126
  • 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 SC02-0126 available by request