N119-0126 Screening compound: (1R,2R,9S)-11-({4-[(3-fluorophenyl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N119-0126 Screening compound: (1R,2R,9S)-11-({4-[(3-fluorophenyl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N119-0126 Screening compound: (1R,2R,9S)-11-({4-[(3-fluorophenyl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0126
(1R,2R,9S)-11-({4-[(3-fluorophenyl)sulfonyl]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

N119-0126

Molecular Formula

C22H29FN4O4S (C22 H29 FN4 O4 S)

Compound Name

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

IUPAC name

(1R2R9S)-11-[4-(3-fluorobenzenesulfonyl)piperazine-1-carbonyl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(N(CC1)CCN1S(c1cc(F)ccc1)(=O)=O)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C22H29FN4O4S/c23-18-3-1-4-19(12-18)32(30,31)26-9-7-24(8-10-26)22(29)25-13-16-11-17(15-25)20-5-2-6-21(28)27(20)14-16/h1,3-4,12,16-17,20H,2,5-11,13-15H2/t16-,17+,20+/m0/s1

InChI Key

STLLOOPFKSAMJD-SQGPQFPESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.854

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.45

Polar Surface Area

66.445

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

63.64

N119-0126 in Drug Discovery

Included in Screening Libraries

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 N119-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N119-0126?
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What is the minimum amount of N119-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0126
  • 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 N119-0126 available by request