1315-0151 Screening compound: (E)-N-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]-1-(3-nitrophenyl)methanimine

1315-0151 Screening compound: (E)-N-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]-1-(3-nitrophenyl)methanimine
1315-0151 Screening compound: (E)-N-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]-1-(3-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0151
(E)-N-[2-(naphthalen-2-yl)-1,3-benzoxazol-5-yl]-1-(3-nitrophenyl)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

1315-0151

Molecular Formula

C24H15N3O3 (C24 H15 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(/C=N/c(cc2)cc3c2oc(-c2cc4ccccc4cc2)n3)ccc1)=O

InChI

InChI=1S/C24H15N3O3/c28-27(29)21-7-3-4-16(12-21)15-25-20-10-11-23-22(14-20)26-24(30-23)19-9-8-17-5-1-2-6-18(17)13-19/h1-15H

InChI Key

ONMLUYYOXKOWEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

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

5.838

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-6.98

Polar Surface Area

58.286

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1315-0151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1315-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0151?
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What is the minimum amount of 1315-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0151
  • 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 1315-0151 available by request