4402-0828 Screening compound: 3-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

4402-0828 Screening compound: 3-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
4402-0828 Screening compound: 3-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0828
3-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

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

4402-0828

Molecular Formula

C23H19ClN2O2 (C23 H19 ClN2 O2)

Compound Name

3-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide

IUPAC name

3-chloro-N-[4-(5-ethyl-13-benzoxazol-2-yl)phenyl]-4-methylbenzamide

SMILES

CCc(cc1)cc2c1oc(-c(cc1)ccc1NC(c1cc(Cl)c(C)cc1)=O)n2

InChI

InChI=1S/C23H19ClN2O2/c1-3-15-5-11-21-20(12-15)26-23(28-21)16-7-9-18(10-8-16)25-22(27)17-6-4-14(2)19(24)13-17/h4-13H,3H2,1-2H3,(H,25,27)

InChI Key

YXMZHGPSVXOFLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03228310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.404

Distribution Coefficient, logD

6.403

Water Solubility, LogSw

-6.32

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4402-0828 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4402-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0828?
Check Price and Availability of 4402-0828, 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 4402-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0828
  • 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 4402-0828 available by request