8006-2350 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]methanimine

8006-2350 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]methanimine
8006-2350 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2350
(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]methanimine

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

8006-2350

Molecular Formula

C21H14ClN3O3 (C21 H14 ClN3 O3)

Compound Name

(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]methanimine

IUPAC name

(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-methylphenyl)-13-benzoxazol-5-yl]methanimine

SMILES

Cc1cccc(-c2nc(cc(cc3)/N=C/c(cc4)cc([N+]([O-])=O)c4Cl)c3o2)c1

InChI

InChI=1S/C21H14ClN3O3/c1-13-3-2-4-15(9-13)21-24-18-11-16(6-8-20(18)28-21)23-12-14-5-7-17(22)19(10-14)25(26)27/h2-12H,1H3

InChI Key

SWNIVYSMVNTZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-6.11

Polar Surface Area

58.257

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8006-2350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2350?
Check Price and Availability of 8006-2350, 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 8006-2350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2350
  • 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 8006-2350 available by request