N119-0047 Screening compound: (1R,2R,9S)-11-({4-[(4-methyl-3-pyridyl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N119-0047 Screening compound: (1R,2R,9S)-11-({4-[(4-methyl-3-pyridyl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N119-0047 Screening compound: (1R,2R,9S)-11-({4-[(4-methyl-3-pyridyl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0047
(1R,2R,9S)-11-({4-[(4-methyl-3-pyridyl)carbonyl]piperazino}carbonyl)-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

N119-0047

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

(1R,2R,9S)-11-({4-[(4-methyl-3-pyridyl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

n/a

SMILES

Cc(ccnc1)c1C(N(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O

InChI

InChI=1S/C23H31N5O3/c1-16-5-6-24-12-19(16)22(30)25-7-9-26(10-8-25)23(31)27-13-17-11-18(15-27)20-3-2-4-21(29)28(20)14-17/h5-6,12,17-18,20H,2-4,7-11,13-15H2,1H3/t17-,18+,20+/m0/s1

InChI Key

IBHWRSDUVHWANC-NLWGTHIKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.958

Distribution Coefficient, logD

0.958

Water Solubility, LogSw

-1.42

Polar Surface Area

60.900

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.20

References: we are preparing a list of scientific research reports with N119-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N119-0047?
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What is the minimum amount of N119-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0047
  • 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 N119-0047 available by request