N106-1256 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-methyl-2-thienyl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-benzylbutanamide

N106-1256 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-methyl-2-thienyl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-benzylbutanamide
N106-1256 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[(5-methyl-2-thienyl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1256
4-{(1R,3aS,10aS,10bS)-2-[(5-methyl-2-thienyl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-benzylbutanamide

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

N106-1256

Molecular Formula

C28H37N3O2S (C28 H37 N3 O2 S)

Compound Name

4-{(1R,3aS,10aS,10bS)-2-[(5-methyl-2-thienyl)carbonyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-N~1~-benzylbutanamide

IUPAC name

N-benzyl-4-[(5R6R9S13S)-7-(5-methylthiophene-2-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

Cc1ccc(C(N(C[C@@H]2CCC3)[C@H](CCCC(NCc4ccccc4)=O)[C@@H]4[C@H]2N3CCC4)=O)s1

InChI

InChI=1S/C28H37N3O2S/c1-20-14-15-25(34-20)28(33)31-19-22-10-6-16-30-17-7-11-23(27(22)30)24(31)12-5-13-26(32)29-18-21-8-3-2-4-9-21/h2-4,8-9,14-15,22-24,27H,5-7,10-13,16-19H2,1H3,(H,29,32)/t22-,23-,24-,27-/m1/s1

InChI Key

QBDXIFJFZTYXPR-ANNHOSHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-3.86

Polar Surface Area

44.411

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.14

N106-1256 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1256?
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What is the minimum amount of N106-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1256
  • 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 N106-1256 available by request