SC02-0078 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(3-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}benzamide

SC02-0078 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(3-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}benzamide
SC02-0078 Screening compound: 4-fluoro-N-{3-(2-methoxyethyl)-1-[(3-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0078
4-fluoro-N-{3-(2-methoxyethyl)-1-[(3-methyl-2-pyridyl)carbonyl]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

SC02-0078

Molecular Formula

C21H24FN3O3 (C21 H24 FN3 O3)

Compound Name

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

IUPAC name

4-fluoro-N-[3-(2-methoxyethyl)-1-(3-methylpyridine-2-carbonyl)pyrrolidin-3-yl]benzamide

SMILES

Cc1cccnc1C(N(CC1)CC1(CCOC)NC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C21H24FN3O3/c1-15-4-3-11-23-18(15)20(27)25-12-9-21(14-25,10-13-28-2)24-19(26)16-5-7-17(22)8-6-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,24,26)/t21-/m1/s1

InChI Key

MKSCGMYRTMLREV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32252047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-2.47

Polar Surface Area

59.610

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SC02-0078 in Drug Discovery

Included in Screening Libraries

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 SC02-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0078?
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What is the minimum amount of SC02-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0078
  • 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 SC02-0078 available by request