SB14-0991 Screening compound: N-{1-[2-(3-pyridyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

SB14-0991 Screening compound: N-{1-[2-(3-pyridyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide
SB14-0991 Screening compound: N-{1-[2-(3-pyridyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-0991
N-{1-[2-(3-pyridyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

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

SB14-0991

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

N-{1-[2-(3-pyridyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

IUPAC name

N-(oxan-4-yl)-N-{1-[2-(pyridin-3-yl)acetyl]pyrrolidin-3-yl}cyclopropanecarboxamide

SMILES

O=C(Cc1cnccc1)N(CC1)CC1N(C1CCOCC1)C(C1CC1)=O

InChI

InChI=1S/C20H27N3O3/c24-19(12-15-2-1-8-21-13-15)22-9-5-18(14-22)23(20(25)16-3-4-16)17-6-10-26-11-7-17/h1-2,8,13,16-18H,3-7,9-12,14H2/t18-/m0/s1

InChI Key

XXPMDNOSZGMLIM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32246389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.893

Distribution Coefficient, logD

0.884

Water Solubility, LogSw

-0.42

Polar Surface Area

48.953

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB14-0991 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB14-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-0991?
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What is the minimum amount of SB14-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-0991
  • 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 SB14-0991 available by request