4410-4701 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

4410-4701 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
4410-4701 Screening compound: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4701
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

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

4410-4701

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

IUPAC name

N-[4-chloro-3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc(-c2nc(cc(C)cc3C)c3o2)c1Cl)=O

InChI

InChI=1S/C24H21ClN2O3/c1-4-29-18-8-5-16(6-9-18)23(28)26-17-7-10-20(25)19(13-17)24-27-21-12-14(2)11-15(3)22(21)30-24/h5-13H,4H2,1-3H3,(H,26,28)

InChI Key

XMQRUPSGEKBMQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.364

Distribution Coefficient, logD

6.363

Water Solubility, LogSw

-6.25

Polar Surface Area

47.496

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4410-4701 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4410-4701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4701?
Check Price and Availability of 4410-4701, 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 4410-4701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4701
  • 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 4410-4701 available by request