2080-0360 Screening compound: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide

2080-0360 Screening compound: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
2080-0360 Screening compound: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2080-0360
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide

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

2080-0360

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

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

IUPAC name

N-[3-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-2-nitrobenzamide

SMILES

Cc(cc1C)cc2c1oc(-c1cccc(NC(c(cccc3)c3[N+]([O-])=O)=O)c1)n2

InChI

InChI=1S/C22H17N3O4/c1-13-10-14(2)20-18(11-13)24-22(29-20)15-6-5-7-16(12-15)23-21(26)17-8-3-4-9-19(17)25(27)28/h3-12H,1-2H3,(H,23,26)

InChI Key

SZDMHUBJMGLUQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01179898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.04

Polar Surface Area

73.453

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 2080-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2080-0360?
Check Price and Availability of 2080-0360, 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 2080-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2080-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2080-0360
  • 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 2080-0360 available by request