4244-1196 Screening compound: 3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

4244-1196 Screening compound: 3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
4244-1196 Screening compound: 3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1196
3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

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

4244-1196

Molecular Formula

C25H23ClN2O3 (C25 H23 ClN2 O3)

Compound Name

3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

IUPAC name

3-chloro-4-ethoxy-N-{4-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}benzamide

SMILES

CCOc(ccc(C(Nc(cc1)ccc1-c1nc(cc(C(C)C)cc2)c2o1)=O)c1)c1Cl

InChI

InChI=1S/C25H23ClN2O3/c1-4-30-22-11-8-18(13-20(22)26)24(29)27-19-9-5-16(6-10-19)25-28-21-14-17(15(2)3)7-12-23(21)31-25/h5-15H,4H2,1-3H3,(H,27,29)

InChI Key

SAUVMHGWWGAEQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03062075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.260

Distribution Coefficient, logD

6.260

Water Solubility, LogSw

-6.27

Polar Surface Area

47.350

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4244-1196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4244-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1196?
Check Price and Availability of 4244-1196, 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 4244-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1196
  • 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 4244-1196 available by request