8006-0656 Screening compound: 5-bromo-2,4-dinitrobenzoic acid

8006-0656 Screening compound: 5-bromo-2,4-dinitrobenzoic acid
8006-0656 Screening compound: 5-bromo-2,4-dinitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0656
5-bromo-2,4-dinitrobenzoic 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

8006-0656

Molecular Formula

C7H3BrN2O6 (C7 H3 BrN2 O6)

Compound Name

5-bromo-2,4-dinitrobenzoic acid

IUPAC name

5-bromo-24-dinitrobenzoic acid

SMILES

[O-][N+](c(c(C(O)=O)c1)cc([N+]([O-])=O)c1Br)=O

InChI

InChI=1S/C7H3BrN2O6/c8-4-1-3(7(11)12)5(9(13)14)2-6(4)10(15)16/h1-2H,(H,11,12)

InChI Key

XQXYHTAMADVPIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

-3.550

Water Solubility, LogSw

-2.12

Polar Surface Area

94.808

Acid Dissociation Constant (pKa)

1.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-0656 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0656?
Check Price and Availability of 8006-0656, 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 8006-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0656
  • 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 8006-0656 available by request