4809-0684 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide

4809-0684 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
4809-0684 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4809-0684
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide

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

4809-0684

Molecular Formula

C23H18Cl2N2O4 (C23 H18 Cl2 N2 O4)

Compound Name

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide

IUPAC name

N-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-2-(24-dichloro-6-methylphenoxy)acetamide

SMILES

Cc1cc(Cl)cc(Cl)c1OCC(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=O

InChI

InChI=1S/C23H18Cl2N2O4/c1-13-9-15(24)11-16(25)22(13)30-12-21(28)26-18-10-14(7-8-19(18)29-2)23-27-17-5-3-4-6-20(17)31-23/h3-11H,12H2,1-2H3,(H,26,28)

InChI Key

CMAJLZCLWITLAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.369

Distribution Coefficient, logD

6.369

Water Solubility, LogSw

-6.21

Polar Surface Area

54.531

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4809-0684 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4809-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4809-0684?
Check Price and Availability of 4809-0684, 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 4809-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4809-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4809-0684
  • 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 4809-0684 available by request