8006-2176 Screening compound: 5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid

8006-2176 Screening compound: 5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid
8006-2176 Screening compound: 5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2176
5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid

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

8006-2176

Molecular Formula

C14H9BrN2O5 (C14 H9 BrN2 O5)

Compound Name

5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid

IUPAC name

5-[(E)-[(4-bromo-3-nitrophenyl)methylidene]amino]-2-hydroxybenzoic acid

SMILES

[O-][N+](c(cc(/C=N/c(cc1)cc(C(O)=O)c1O)cc1)c1Br)=O

InChI

InChI=1S/C14H9BrN2O5/c15-11-3-1-8(5-12(11)17(21)22)7-16-9-2-4-13(18)10(6-9)14(19)20/h1-7,18H,(H,19,20)

InChI Key

IWKCAZZNYAEPEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00555205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

0.210

Water Solubility, LogSw

-3.91

Polar Surface Area

86.403

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-2176 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2176?
Check Price and Availability of 8006-2176, 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 8006-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2176
  • 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 8006-2176 available by request