SC02-0017 Screening compound: N-[1-(4-chlorobenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide

SC02-0017 Screening compound: N-[1-(4-chlorobenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide
SC02-0017 Screening compound: N-[1-(4-chlorobenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0017
N-[1-(4-chlorobenzyl)-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

SC02-0017

Molecular Formula

C21H24ClFN2O2 (C21 H24 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

COCCC1(CN(Cc(cc2)ccc2Cl)CC1)NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C21H24ClFN2O2/c1-27-13-11-21(24-20(26)17-4-8-19(23)9-5-17)10-12-25(15-21)14-16-2-6-18(22)7-3-16/h2-9H,10-15H2,1H3,(H,24,26)/t21-/m1/s1

InChI Key

JRSCZSHQAZVCRA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32251436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-4.12

Polar Surface Area

36.876

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SC02-0017 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC02-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0017?
Check Price and Availability of SC02-0017, 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 SC02-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0017
  • 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 SC02-0017 available by request