8006-4674 Screening compound: (1R,6S)-6-[(allylamino)carbonyl]-3-cyclohexene-1-carboxylic acid

8006-4674 Screening compound: (1R,6S)-6-[(allylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
8006-4674 Screening compound: (1R,6S)-6-[(allylamino)carbonyl]-3-cyclohexene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4674
(1R,6S)-6-[(allylamino)carbonyl]-3-cyclohexene-1-carboxylic acid

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

8006-4674

Molecular Formula

C11H15NO3 (C11 H15 NO3)

Compound Name

(1R,6S)-6-[(allylamino)carbonyl]-3-cyclohexene-1-carboxylic acid

IUPAC name

(1R6S)-6-[(prop-2-en-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

SMILES

C=CCNC([C@H](CC=CC1)[C@H]1C(O)=O)=O

InChI

InChI=1S/C11H15NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2-4,8-9H,1,5-7H2,(H,12,13)(H,14,15)/t8-,9+/m1/s1

InChI Key

WOVNLQWKGISOPF-BDAKNGLRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

-1.602

Water Solubility, LogSw

-1.61

Polar Surface Area

53.365

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

8006-4674 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-4674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4674?
Check Price and Availability of 8006-4674, 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 8006-4674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4674
  • 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 8006-4674 available by request