N119-0093 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N119-0093 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N119-0093 Screening compound: (1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]piperazino}carbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0093
(1R,2R,9S)-11-({4-[(1-ethyl-1H-pyrazol-3-yl)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

N119-0093

Molecular Formula

C22H32N6O3 (C22 H32 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1)nc1C(N(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O

InChI

InChI=1S/C22H32N6O3/c1-2-27-7-6-18(23-27)21(30)24-8-10-25(11-9-24)22(31)26-13-16-12-17(15-26)19-4-3-5-20(29)28(19)14-16/h6-7,16-17,19H,2-5,8-15H2,1H3/t16-,17+,19+/m0/s1

InChI Key

JRDWNLFEPNNAND-YQVWRLOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.428

Distribution Coefficient, logD

0.428

Water Solubility, LogSw

-1.46

Polar Surface Area

65.767

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.73

N119-0093 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N119-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of N119-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0093
  • 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 N119-0093 available by request