N108-0170 Screening compound: (1R,2R,9S)-11-[2-(4-allylpiperazino)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N108-0170 Screening compound: (1R,2R,9S)-11-[2-(4-allylpiperazino)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N108-0170 Screening compound: (1R,2R,9S)-11-[2-(4-allylpiperazino)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0170
(1R,2R,9S)-11-[2-(4-allylpiperazino)-2-oxoethyl]-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

N108-0170

Molecular Formula

C20H32N4O2 (C20 H32 N4 O2)

Compound Name

(1R,2R,9S)-11-[2-(4-allylpiperazino)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-{2-oxo-2-[4-(prop-2-en-1-yl)piperazin-1-yl]ethyl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

C=CCN(CC1)CCN1C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C20H32N4O2/c1-2-6-21-7-9-23(10-8-21)20(26)15-22-12-16-11-17(14-22)18-4-3-5-19(25)24(18)13-16/h2,16-18H,1,3-15H2/t16-,17+,18+/m0/s1

InChI Key

IXWJEDKBLOCGDP-RCCFBDPRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.153

Distribution Coefficient, logD

0.045

Water Solubility, LogSw

-0.16

Polar Surface Area

40.387

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

80.00

N108-0170 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 N108-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0170?
Check Price and Availability of N108-0170, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N108-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0170
  • 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 N108-0170 available by request