8290-03354 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide

8290-03354 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide
8290-03354 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-03354
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-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

8290-03354

Molecular Formula

C22H17N3O5 (C22 H17 N3 O5)

Compound Name

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide

IUPAC name

N-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H17N3O5/c1-13-7-8-14(12-18(13)25(27)28)21(26)23-17-11-15(9-10-19(17)29-2)22-24-16-5-3-4-6-20(16)30-22/h3-12H,1-2H3,(H,23,26)

InChI Key

LOLAUZMDBLPEDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.74

Polar Surface Area

80.153

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8290-03354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-03354?
Check Price and Availability of 8290-03354, 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 8290-03354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-03354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-03354
  • 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 8290-03354 available by request