N119-0141 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N119-0141 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N119-0141 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0141
(1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-4-yl)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

N119-0141

Molecular Formula

C21H32N6O4S (C21 H32 N6 O4 S)

Compound Name

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

IUPAC name

(1R2R9S)-11-{4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

CCn1ncc(S(N(CC2)CCN2C(N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)(=O)=O)c1

InChI

InChI=1S/C21H32N6O4S/c1-2-25-15-18(11-22-25)32(30,31)26-8-6-23(7-9-26)21(29)24-12-16-10-17(14-24)19-4-3-5-20(28)27(19)13-16/h11,15-17,19H,2-10,12-14H2,1H3/t16-,17+,19+/m0/s1

InChI Key

XHMQPHABRHVGTE-YQVWRLOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.221

Distribution Coefficient, logD

0.221

Water Solubility, LogSw

-1.38

Polar Surface Area

80.947

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

76.19

N119-0141 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N119-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N119-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0141
  • 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 N119-0141 available by request