SC02-0057 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-3-yl}benzamide

SC02-0057 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-3-yl}benzamide
SC02-0057 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0057
4-fluoro-N-{3-(2-methoxyethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]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

SC02-0057

Molecular Formula

C20H26FN3O2 (C20 H26 FN3 O2)

Compound Name

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

IUPAC name

4-fluoro-N-[3-(2-methoxyethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl]benzamide

SMILES

Cn1c(CN(CC2)CC2(CCOC)NC(c(cc2)ccc2F)=O)ccc1

InChI

InChI=1S/C20H26FN3O2/c1-23-11-3-4-18(23)14-24-12-9-20(15-24,10-13-26-2)22-19(25)16-5-7-17(21)8-6-16/h3-8,11H,9-10,12-15H2,1-2H3,(H,22,25)/t20-/m1/s1

InChI Key

CIFOWGZDWHXMKA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32251810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-2.75

Polar Surface Area

39.774

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC02-0057 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC02-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0057?
Check Price and Availability of SC02-0057, 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 SC02-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0057
  • 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 SC02-0057 available by request