N115-0007 Screening compound: (1R,2R,9R)-11-{5-[(4-methylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N115-0007 Screening compound: (1R,2R,9R)-11-{5-[(4-methylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N115-0007 Screening compound: (1R,2R,9R)-11-{5-[(4-methylpiperazino)carbonyl]-2-pyridyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0007
(1R,2R,9R)-11-{5-[(4-methylpiperazino)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

N115-0007

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-24-7-9-25(10-8-24)22(29)17-5-6-20(23-12-17)26-13-16-11-18(15-26)19-3-2-4-21(28)27(19)14-16/h5-6,12,16,18-19H,2-4,7-11,13-15H2,1H3/t16-,18+,19+/m0/s1

InChI Key

RILFIQVTPLWVSW-QXAKKESOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.013

Distribution Coefficient, logD

0.882

Water Solubility, LogSw

-1.73

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.18

N115-0007 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N115-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0007?
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What is the minimum amount of N115-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0007
  • 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 N115-0007 available by request