0780-1106 Screening compound: (1E,2E)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine

0780-1106 Screening compound: (1E,2E)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine
0780-1106 Screening compound: (1E,2E)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1106
(1E,2E)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine

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

0780-1106

Molecular Formula

C23H17N3O3 (C23 H17 N3 O3)

Compound Name

(1E,2E)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine

IUPAC name

(1E2E)-N-[2-(2-methylphenyl)-13-benzoxazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-imine

SMILES

Cc(cccc1)c1-c1nc(cc(cc2)/N=C/C=C/c(cc3)ccc3[N+]([O-])=O)c2o1

InChI

InChI=1S/C23H17N3O3/c1-16-5-2-3-7-20(16)23-25-21-15-18(10-13-22(21)29-23)24-14-4-6-17-8-11-19(12-9-17)26(27)28/h2-15H,1H3

InChI Key

FMNBUMCAHWCXNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00334073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.58

Polar Surface Area

59.189

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0780-1106 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 0780-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1106?
Check Price and Availability of 0780-1106, 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 0780-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1106
  • 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 0780-1106 available by request