Y500-6550 Screening compound: 4-[(2-chlorophenoxy)methyl]-N,N-dicyclohexylbenzamide

Y500-6550 Screening compound: 4-[(2-chlorophenoxy)methyl]-N,N-dicyclohexylbenzamide
Y500-6550 Screening compound: 4-[(2-chlorophenoxy)methyl]-N,N-dicyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6550
4-[(2-chlorophenoxy)methyl]-N,N-dicyclohexylbenzamide

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

Y500-6550

Molecular Formula

C26H32ClNO2 (C26 H32 ClNO2)

Compound Name

4-[(2-chlorophenoxy)methyl]-N,N-dicyclohexylbenzamide

IUPAC name

4-[(2-chlorophenoxy)methyl]-NN-dicyclohexylbenzamide

SMILES

O=C(c1ccc(COc(cccc2)c2Cl)cc1)N(C1CCCCC1)C1CCCCC1

InChI

InChI=1S/C26H32ClNO2/c27-24-13-7-8-14-25(24)30-19-20-15-17-21(18-16-20)26(29)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-18,22-23H,1-6,9-12,19H2

InChI Key

OVKXTSNXHKHIFJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.727

Distribution Coefficient, logD

6.727

Water Solubility, LogSw

-6.37

Polar Surface Area

22.090

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y500-6550 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-6550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6550?
Check Price and Availability of Y500-6550, 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 Y500-6550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6550
  • 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 Y500-6550 available by request