N106-0647 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

N106-0647 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide
N106-0647 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0647
4-[(1R,3aS,10aS,10bS)-2-(3,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

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

N106-0647

Molecular Formula

C26H35F2N3O2 (C26 H35 F2 N3 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(3,5-difluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

IUPAC name

N-(cyclopropylmethyl)-4-[(5R6R9S13S)-7-(35-difluorobenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cc(F)cc(F)c1)=O)NCC1CC1

InChI

InChI=1S/C26H35F2N3O2/c27-20-12-19(13-21(28)14-20)26(33)31-16-18-4-2-10-30-11-3-5-22(25(18)30)23(31)6-1-7-24(32)29-15-17-8-9-17/h12-14,17-18,22-23,25H,1-11,15-16H2,(H,29,32)/t18-,22-,23-,25-/m1/s1

InChI Key

QXUXTMUEACHVOK-FQESCDNSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.58

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

2.861

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-3.15

Polar Surface Area

43.916

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

69.23

N106-0647 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0647?
Check Price and Availability of N106-0647, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N106-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0647
  • 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 N106-0647 available by request