N118-0004 Screening compound: 2,6-dimethoxy-N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)nicotinamide

N118-0004 Screening compound: 2,6-dimethoxy-N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)nicotinamide
N118-0004 Screening compound: 2,6-dimethoxy-N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0004
2,6-dimethoxy-N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)nicotinamide

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

N118-0004

Molecular Formula

C25H35N5O5 (C25 H35 N5 O5)

Compound Name

2,6-dimethoxy-N~3~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)nicotinamide

IUPAC name

26-dimethoxy-N-{1-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperidin-4-yl}pyridine-3-carboxamide

SMILES

COc(cc1)nc(OC)c1C(NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O

InChI

InChI=1S/C25H35N5O5/c1-34-21-7-6-19(24(27-21)35-2)23(32)26-18-8-10-28(11-9-18)25(33)29-13-16-12-17(15-29)20-4-3-5-22(31)30(20)14-16/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,26,32)/t16-,17+,20+/m0/s1

InChI Key

TZCOKJZDALLDQH-SQGPQFPESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.85

Polar Surface Area

83.234

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with N118-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0004?
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What is the minimum amount of N118-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0004
  • 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 N118-0004 available by request