N119-0123 Screening compound: (1R,2R,9S)-11-{[4-(benzylsulfonyl)piperazino]carbonyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N119-0123 Screening compound: (1R,2R,9S)-11-{[4-(benzylsulfonyl)piperazino]carbonyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N119-0123 Screening compound: (1R,2R,9S)-11-{[4-(benzylsulfonyl)piperazino]carbonyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0123
(1R,2R,9S)-11-{[4-(benzylsulfonyl)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

N119-0123

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

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

IUPAC name

(1R2R9S)-11-(4-phenylmethanesulfonylpiperazine-1-carbonyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(N(CC1)CCN1S(Cc1ccccc1)(=O)=O)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C23H32N4O4S/c28-22-8-4-7-21-20-13-19(15-27(21)22)14-25(16-20)23(29)24-9-11-26(12-10-24)32(30,31)17-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2/t19-,20+,21+/m0/s1

InChI Key

FDNJXQQDAFFGNC-PWRODBHTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-2.03

Polar Surface Area

66.339

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

N119-0123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N119-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N119-0123?
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What is the minimum amount of N119-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0123
  • 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 N119-0123 available by request