S976-1162 Screening compound: N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide

S976-1162 Screening compound: N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide
S976-1162 Screening compound: N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1162
N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide

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

S976-1162

Molecular Formula

C16H24FN3O (C16 H24 FN3 O)

Compound Name

N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

N-(cyclopropylmethyl)-3-fluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidine-3-carboxamide

SMILES

Cn1c(CN(CCC2)CC2(C(NCC2CC2)=O)F)ccc1

InChI

InChI=1S/C16H24FN3O/c1-19-8-2-4-14(19)11-20-9-3-7-16(17,12-20)15(21)18-10-13-5-6-13/h2,4,8,13H,3,5-7,9-12H2,1H3,(H,18,21)/t16-/m0/s1

InChI Key

PLEKDMWEOITYHU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32232327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.26

Polar Surface Area

31.739

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S976-1162 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S976-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1162?
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What is the minimum amount of S976-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1162
  • 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 S976-1162 available by request