SC02-0159 Screening compound: 4-fluoro-N-[1-(4-isopropylbenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide

SC02-0159 Screening compound: 4-fluoro-N-[1-(4-isopropylbenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide
SC02-0159 Screening compound: 4-fluoro-N-[1-(4-isopropylbenzyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0159
4-fluoro-N-[1-(4-isopropylbenzyl)-3-(2-methoxyethyl)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

SC02-0159

Molecular Formula

C24H31FN2O2 (C24 H31 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(CN(CC2)CC2(CCOC)NC(c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C24H31FN2O2/c1-18(2)20-6-4-19(5-7-20)16-27-14-12-24(17-27,13-15-29-3)26-23(28)21-8-10-22(25)11-9-21/h4-11,18H,12-17H2,1-3H3,(H,26,28)/t24-/m1/s1

InChI Key

AMQTUIQZVXBALW-XMMPIXPASA-N

MDL Number (MFCD)

MFCD32252761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.52

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

4.327

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-4.13

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

45.83

SC02-0159 in Drug Discovery

Included in Screening Libraries

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

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 SC02-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0159?
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What is the minimum amount of SC02-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0159
  • 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 SC02-0159 available by request