8005-4700 Screening compound: (3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide

8005-4700 Screening compound: (3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide
8005-4700 Screening compound: (3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4700
(3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide

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

8005-4700

Molecular Formula

C19H26BrN3O3 (C19 H26 BrN3 O3)

Compound Name

(3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide

IUPAC name

(3E)-3-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}-N-cyclohexylbutanamide

SMILES

C/C(/CC(NC1CCCCC1)=O)=N\NC(COc(ccc(C)c1)c1Br)=O

InChI

InChI=1S/C19H26BrN3O3/c1-13-8-9-17(16(20)10-13)26-12-19(25)23-22-14(2)11-18(24)21-15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,21,24)(H,23,25)

InChI Key

WDYKGOOMWAPYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.64

Polar Surface Area

66.492

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

8005-4700 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-4700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4700?
Check Price and Availability of 8005-4700, 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 8005-4700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4700
  • 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 8005-4700 available by request