0808-0198 Screening compound: (E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1-(2,3-dichlorophenyl)methanimine

0808-0198 Screening compound: (E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1-(2,3-dichlorophenyl)methanimine
0808-0198 Screening compound: (E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1-(2,3-dichlorophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0808-0198
(E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1-(2,3-dichlorophenyl)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

0808-0198

Molecular Formula

C20H11Cl3N2O (C20 H11 Cl3 N2 O)

Compound Name

(E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1-(2,3-dichlorophenyl)methanimine

IUPAC name

(E)-N-[2-(2-chlorophenyl)-13-benzoxazol-5-yl]-1-(23-dichlorophenyl)methanimine

SMILES

Clc(cccc1)c1-c1nc(cc(cc2)/N=C/c3cccc(Cl)c3Cl)c2o1

InChI

InChI=1S/C20H11Cl3N2O/c21-15-6-2-1-5-14(15)20-25-17-10-13(8-9-18(17)26-20)24-11-12-4-3-7-16(22)19(12)23/h1-11H

InChI Key

URLZAFJRDGAFHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00294568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.590

Distribution Coefficient, logD

6.590

Water Solubility, LogSw

-6.84

Polar Surface Area

25.176

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0808-0198 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0808-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0808-0198?
Check Price and Availability of 0808-0198, 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 0808-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0808-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0808-0198
  • 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 0808-0198 available by request