N115-0171 Screening compound: N~3~-[3-(4-methylpiperazino)propyl]-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide

N115-0171 Screening compound: N~3~-[3-(4-methylpiperazino)propyl]-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide
N115-0171 Screening compound: N~3~-[3-(4-methylpiperazino)propyl]-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0171
N~3~-[3-(4-methylpiperazino)propyl]-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]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

N115-0171

Molecular Formula

C25H38N6O2 (C25 H38 N6 O2)

Compound Name

N~3~-[3-(4-methylpiperazino)propyl]-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]nicotinamide

IUPAC name

N-[3-(4-methylpiperazin-1-yl)propyl]-6-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]pyridine-3-carboxamide

SMILES

CN1CCN(CCCNC(c(cc2)cnc2N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)CC1

InChI

InChI=1S/C25H38N6O2/c1-28-10-12-29(13-11-28)9-3-8-26-25(33)20-6-7-23(27-15-20)30-16-19-14-21(18-30)22-4-2-5-24(32)31(22)17-19/h6-7,15,19,21-22H,2-5,8-14,16-18H2,1H3,(H,26,33)/t19-,21+,22+/m0/s1

InChI Key

FUWQFDCJZCOGSC-KSEOMHKRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.993

Distribution Coefficient, logD

-0.157

Water Solubility, LogSw

-1.89

Polar Surface Area

60.239

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with N115-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0171?
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What is the minimum amount of N115-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0171
  • 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 N115-0171 available by request