8008-0696 Screening compound: benzyl N-[3-(cycloheptylamino)-3-oxopropyl]carbamate

8008-0696 Screening compound: benzyl N-[3-(cycloheptylamino)-3-oxopropyl]carbamate
8008-0696 Screening compound: benzyl N-[3-(cycloheptylamino)-3-oxopropyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0696
benzyl N-[3-(cycloheptylamino)-3-oxopropyl]carbamate

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

8008-0696

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

benzyl N-[3-(cycloheptylamino)-3-oxopropyl]carbamate

IUPAC name

benzyl N-[2-(cycloheptylcarbamoyl)ethyl]carbamate

SMILES

O=C(CCNC(OCc1ccccc1)=O)NC1CCCCCC1

InChI

InChI=1S/C18H26N2O3/c21-17(20-16-10-6-1-2-7-11-16)12-13-19-18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14H2,(H,19,22)(H,20,21)

InChI Key

VHBWXJQNGCAZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-3.53

Polar Surface Area

57.478

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

8008-0696 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8008-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0696?
Check Price and Availability of 8008-0696, 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 8008-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0696
  • 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 8008-0696 available by request