4317-0094 Screening compound: 3,4-dimethoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

4317-0094 Screening compound: 3,4-dimethoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
4317-0094 Screening compound: 3,4-dimethoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4317-0094
3,4-dimethoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)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

4317-0094

Molecular Formula

C22H18N2O4 (C22 H18 N2 O4)

Compound Name

3,4-dimethoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

IUPAC name

34-dimethoxy-N-(2-phenyl-13-benzoxazol-5-yl)benzamide

SMILES

COc(ccc(C(Nc(cc1)cc2c1oc(-c1ccccc1)n2)=O)c1)c1OC

InChI

InChI=1S/C22H18N2O4/c1-26-19-10-8-15(12-20(19)27-2)21(25)23-16-9-11-18-17(13-16)24-22(28-18)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,25)

InChI Key

QPYUNLAMMJPSBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.29

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4317-0094 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4317-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4317-0094?
Check Price and Availability of 4317-0094, 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 4317-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4317-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4317-0094
  • 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 4317-0094 available by request