SC12-0065 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5-fluoro-N-tetrahydro-2H-pyran-4-yl-2-pyridinecarboxamide

SC12-0065 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5-fluoro-N-tetrahydro-2H-pyran-4-yl-2-pyridinecarboxamide
SC12-0065 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5-fluoro-N-tetrahydro-2H-pyran-4-yl-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0065
N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5-fluoro-N-tetrahydro-2H-pyran-4-yl-2-pyridinecarboxamide

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

SC12-0065

Molecular Formula

C23H28FN3O2 (C23 H28 FN3 O2)

Compound Name

N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5-fluoro-N-tetrahydro-2H-pyran-4-yl-2-pyridinecarboxamide

IUPAC name

5-fluoro-N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]pyridine-2-carboxamide

SMILES

O=C(c(cc1)ncc1F)N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1

InChI

InChI=1S/C23H28FN3O2/c24-20-6-7-22(25-16-20)23(28)27(21-9-14-29-15-10-21)12-3-11-26-13-8-18-4-1-2-5-19(18)17-26/h1-2,4-7,16,21H,3,8-15,17H2

InChI Key

GGLJZSBLGOJHNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-2.90

Polar Surface Area

36.091

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

SC12-0065 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 SC12-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0065?
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What is the minimum amount of SC12-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0065
  • 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 SC12-0065 available by request