8005-6097 Screening compound: (E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-6-yl]methanimine

8005-6097 Screening compound: (E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-6-yl]methanimine
8005-6097 Screening compound: (E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-6-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6097
(E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-6-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

8005-6097

Molecular Formula

C24H14BrN3O3 (C24 H14 BrN3 O3)

Compound Name

(E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-6-yl]methanimine

IUPAC name

(E)-1-(4-bromo-3-nitrophenyl)-N-[2-(naphthalen-1-yl)-13-benzoxazol-6-yl]methanimine

SMILES

[O-][N+](c(cc(/C=N/c(cc1)cc2c1nc(-c1cccc3ccccc13)o2)cc1)c1Br)=O

InChI

InChI=1S/C24H14BrN3O3/c25-20-10-8-15(12-22(20)28(29)30)14-26-17-9-11-21-23(13-17)31-24(27-21)19-7-3-5-16-4-1-2-6-18(16)19/h1-14H

InChI Key

KUIPWUNEBOYGMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.3

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

6.296

Distribution Coefficient, logD

6.296

Water Solubility, LogSw

-7.21

Polar Surface Area

57.985

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-6097 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-6097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6097?
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What is the minimum amount of 8005-6097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6097
  • 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 8005-6097 available by request