S976-1135 Screening compound: N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-fluoropiperidine-3-carboxamide

S976-1135 Screening compound: N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-fluoropiperidine-3-carboxamide
S976-1135 Screening compound: N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-fluoropiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1135
N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-fluoropiperidine-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

S976-1135

Molecular Formula

C17H21F3N2O (C17 H21 F3 N2 O)

Compound Name

N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)methyl]-3-fluoropiperidine-3-carboxamide

IUPAC name

N-(cyclopropylmethyl)-1-[(35-difluorophenyl)methyl]-3-fluoropiperidine-3-carboxamide

SMILES

O=C(C1(CN(Cc2cc(F)cc(F)c2)CCC1)F)NCC1CC1

InChI

InChI=1S/C17H21F3N2O/c18-14-6-13(7-15(19)8-14)10-22-5-1-4-17(20,11-22)16(23)21-9-12-2-3-12/h6-8,12H,1-5,9-11H2,(H,21,23)/t17-/m0/s1

InChI Key

QRVXYELQIWLKON-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32232284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.12

Polar Surface Area

28.841

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S976-1135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S976-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1135?
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What is the minimum amount of S976-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1135
  • 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 S976-1135 available by request