N094-0008 Screening compound: 11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

N094-0008 Screening compound: 11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
N094-0008 Screening compound: 11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N094-0008
11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-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

N094-0008

Molecular Formula

C14H19ClN2O2 (C14 H19 ClN2 O2)

Compound Name

11-(3-chloro-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

11-(3-chloro-2-hydroxypropyl)-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

OC(CN(CC(C1)CN23)CC1C3=CC=CC2=O)CCl

InChI

InChI=1S/C14H19ClN2O2/c15-5-12(18)9-16-6-10-4-11(8-16)13-2-1-3-14(19)17(13)7-10/h1-3,10-12,18H,4-9H2

InChI Key

IZUQCDFAYZCLQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03658890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.308

Distribution Coefficient, logD

1.087

Water Solubility, LogSw

-1.11

Polar Surface Area

36.561

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.30

N094-0008 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with N094-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N094-0008?
Check Price and Availability of N094-0008, 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 N094-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N094-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N094-0008
  • 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 N094-0008 available by request