N121-0700 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)butanamide

N121-0700 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)butanamide
N121-0700 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0700
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)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

N121-0700

Molecular Formula

C25H38N4O3S (C25 H38 N4 O3 S)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)butanamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-[(5R6R9S13S)-7-[(pyridin-3-yl)methyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

O=C(CCC[C@H]1N(Cc2cnccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C25H38N4O3S/c30-24(27-21-10-14-33(31,32)18-21)9-1-8-23-22-7-4-13-28-12-3-6-20(25(22)28)17-29(23)16-19-5-2-11-26-15-19/h2,5,11,15,20-23,25H,1,3-4,6-10,12-14,16-18H2,(H,27,30)/t20-,21?,22-,23-,25-/m1/s1

InChI Key

HIZMMKVNZDHCJW-SZHQDDRHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.158

Distribution Coefficient, logD

-1.368

Water Solubility, LogSw

-1.82

Polar Surface Area

68.323

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

76.00

N121-0700 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N121-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0700?
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What is the minimum amount of N121-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0700
  • 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 N121-0700 available by request