N113-0114 Screening compound: 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N~1~-methylbutanamide

N113-0114 Screening compound: 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N~1~-methylbutanamide
N113-0114 Screening compound: 4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N~1~-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N113-0114
4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N~1~-methylbutanamide

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

N113-0114

Molecular Formula

C19H29N3O (C19 H29 N3 O)

Compound Name

4-[(1S,2R,5S)-7-benzyl-3,7-diazabicyclo[3.3.1]non-2-yl]-N~1~-methylbutanamide

IUPAC name

n/a

SMILES

CNC(CCC[C@H]1NC[C@H]2CN(Cc3ccccc3)C[C@@H]1C2)=O

InChI

InChI=1S/C19H29N3O/c1-20-19(23)9-5-8-18-17-10-16(11-21-18)13-22(14-17)12-15-6-3-2-4-7-15/h2-4,6-7,16-18,21H,5,8-14H2,1H3,(H,20,23)/t16-,17+,18-/m1/s1

InChI Key

XTBVZZCYOIAADY-FGTMMUONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

-0.851

Water Solubility, LogSw

-2.01

Polar Surface Area

40.688

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.20

References: we are preparing a list of scientific research reports with N113-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N113-0114?
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What is the minimum amount of N113-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N113-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N113-0114
  • 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 N113-0114 available by request