N121-1001 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide

N121-1001 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide
N121-1001 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-1001
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]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

N121-1001

Molecular Formula

C28H41N5O3 (C28 H41 N5 O3)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide

IUPAC name

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-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(c1cnccc1)=O)NCCCN(CCC1)C1=O

InChI

InChI=1S/C28H41N5O3/c34-25(30-14-6-18-31-15-5-12-26(31)35)11-1-10-24-23-9-4-17-32-16-3-8-22(27(23)32)20-33(24)28(36)21-7-2-13-29-19-21/h2,7,13,19,22-24,27H,1,3-6,8-12,14-18,20H2,(H,30,34)/t22-,23-,24-,27-/m1/s1

InChI Key

OBOSVYGILCMLKD-ANNHOSHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.472

Distribution Coefficient, logD

-2.934

Water Solubility, LogSw

-0.80

Polar Surface Area

70.264

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

71.43

References: we are preparing a list of scientific research reports with N121-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-1001?
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What is the minimum amount of N121-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-1001
  • 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 N121-1001 available by request