8001-8844 Screening compound: 2-bromo-6-[(E)-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

8001-8844 Screening compound: 2-bromo-6-[(E)-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol
8001-8844 Screening compound: 2-bromo-6-[(E)-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8844
2-bromo-6-[(E)-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

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

8001-8844

Molecular Formula

C20H11BrClN3O4 (C20 H11 BrClN3 O4)

Compound Name

2-bromo-6-[(E)-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

IUPAC name

2-bromo-6-[(E)-{[2-(2-chlorophenyl)-13-benzoxazol-5-yl]imino}methyl]-4-nitrophenol

SMILES

[O-][N+](c(cc1/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Cl)n3)cc(Br)c1O)=O

InChI

InChI=1S/C20H11BrClN3O4/c21-15-9-13(25(27)28)7-11(19(15)26)10-23-12-5-6-18-17(8-12)24-20(29-18)14-3-1-2-4-16(14)22/h1-10,26H

InChI Key

BUMNQTSQLQXQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00340780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-5.79

Polar Surface Area

74.037

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-8844 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 8001-8844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8844?
Check Price and Availability of 8001-8844, 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 8001-8844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8844
  • 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 8001-8844 available by request