N117-0088 Screening compound: (1R,11aR)-3-({4-[(4-isopropylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

N117-0088 Screening compound: (1R,11aR)-3-({4-[(4-isopropylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
N117-0088 Screening compound: (1R,11aR)-3-({4-[(4-isopropylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N117-0088
(1R,11aR)-3-({4-[(4-isopropylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-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

N117-0088

Molecular Formula

C25H41N5O3 (C25 H41 N5 O3)

Compound Name

(1R,11aR)-3-({4-[(4-isopropylpiperazin-1-yl)carbonyl]piperidin-1-yl}carbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

IUPAC name

(1R2R9S)-11-{4-[4-(propan-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

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

InChI

InChI=1S/C25H41N5O3/c1-18(2)26-10-12-27(13-11-26)24(32)20-6-8-28(9-7-20)25(33)29-15-19-14-21(17-29)22-4-3-5-23(31)30(22)16-19/h18-22H,3-17H2,1-2H3/t19-,21+,22+/m0/s1

InChI Key

UCITZVISNIBJGE-KSEOMHKRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

0.572

Water Solubility, LogSw

-1.26

Polar Surface Area

55.438

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

88.00

N117-0088 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N117-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N117-0088?
Check Price and Availability of N117-0088, 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 N117-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N117-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N117-0088
  • 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 N117-0088 available by request