SC02-0022 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}benzamide

SC02-0022 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}benzamide
SC02-0022 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0022
4-fluoro-N-{3-(2-methoxyethyl)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}benzamide

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

SC02-0022

Molecular Formula

C22H24F4N2O2 (C22 H24 F4 N2 O2)

Compound Name

4-fluoro-N-{3-(2-methoxyethyl)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl}benzamide

IUPAC name

4-fluoro-N-[3-(2-methoxyethyl)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]benzamide

SMILES

COCCC1(CN(Cc2ccc(C(F)(F)F)cc2)CC1)NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H24F4N2O2/c1-30-13-11-21(27-20(29)17-4-8-19(23)9-5-17)10-12-28(15-21)14-16-2-6-18(7-3-16)22(24,25)26/h2-9H,10-15H2,1H3,(H,27,29)/t21-/m1/s1

InChI Key

XSIAKDCQINKGKZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32251440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-3.98

Polar Surface Area

36.876

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SC02-0022 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC02-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0022?
Check Price and Availability of SC02-0022, 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 SC02-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0022
  • 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 SC02-0022 available by request