N115-0169 Screening compound: (1S,2R,9R)-11-{5-[(4-allylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N115-0169 Screening compound: (1S,2R,9R)-11-{5-[(4-allylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N115-0169 Screening compound: (1S,2R,9R)-11-{5-[(4-allylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0169
(1S,2R,9R)-11-{5-[(4-allylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

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

N115-0169

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

(1S,2R,9R)-11-{5-[(4-allylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-{5-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]pyridin-2-yl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

C=CCN(CC1)CCN1C(c(cc1)cnc1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C24H33N5O2/c1-2-8-26-9-11-27(12-10-26)24(31)19-6-7-22(25-14-19)28-15-18-13-20(17-28)21-4-3-5-23(30)29(21)16-18/h2,6-7,14,18,20-21H,1,3-5,8-13,15-17H2/t18-,20+,21+/m0/s1

InChI Key

ILZUZNBQWSOLDI-CEWLAPEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-1.66

Polar Surface Area

48.964

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

N115-0169 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 N115-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0169?
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What is the minimum amount of N115-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0169
  • 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 N115-0169 available by request