F019-0454 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide

F019-0454 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide
F019-0454 Screening compound: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0454
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-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

F019-0454

Molecular Formula

C22H16ClN3O5 (C22 H16 ClN3 O5)

Compound Name

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide

IUPAC name

N-[5-(5-chloro-13-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide

SMILES

Cc(ccc(-c1nc(cc(cc2)Cl)c2o1)c1)c1NC(c(cc1)cc([N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C22H16ClN3O5/c1-12-3-4-14(22-25-17-11-15(23)6-8-19(17)31-22)9-16(12)24-21(27)13-5-7-20(30-2)18(10-13)26(28)29/h3-11H,1-2H3,(H,24,27)

InChI Key

FWQSZSMZFKTMKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03061760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.84

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

4.696

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.95

Polar Surface Area

80.153

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F019-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0454?
Check Price and Availability of F019-0454, 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 F019-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0454
  • 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 F019-0454 available by request