3226-0558 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)acetamide

3226-0558 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)acetamide
3226-0558 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-0558
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)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

3226-0558

Molecular Formula

C21H15N3O4 (C21 H15 N3 O4)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)acetamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)acetamide

SMILES

[O-][N+](c1ccc(CC(Nc2cc(-c3nc(cccc4)c4o3)ccc2)=O)cc1)=O

InChI

InChI=1S/C21H15N3O4/c25-20(12-14-8-10-17(11-9-14)24(26)27)22-16-5-3-4-15(13-16)21-23-18-6-1-2-7-19(18)28-21/h1-11,13H,12H2,(H,22,25)

InChI Key

BJDBATBKQRIMMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.61

Polar Surface Area

73.308

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 3226-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-0558?
Check Price and Availability of 3226-0558, 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 3226-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-0558
  • 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 3226-0558 available by request