0960-0241 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

0960-0241 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol
0960-0241 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0241
2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

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

0960-0241

Molecular Formula

C20H11BrN4O6 (C20 H11 BrN4 O6)

Compound Name

2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

IUPAC name

2-[(E)-{[2-(2-bromophenyl)-13-benzoxazol-5-yl]imino}methyl]-46-dinitrophenol

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc(/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Br)n3)c1O)=O

InChI

InChI=1S/C20H11BrN4O6/c21-15-4-2-1-3-14(15)20-23-16-8-12(5-6-18(16)31-20)22-10-11-7-13(24(27)28)9-17(19(11)26)25(29)30/h1-10,26H

InChI Key

YKFPSCDJLKOPFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.23

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-5.01

Polar Surface Area

107.117

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0960-0241 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0960-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0241?
Check Price and Availability of 0960-0241, 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 0960-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0241
  • 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 0960-0241 available by request