1161-0029 Screening compound: 3,4-dinitrobenzaldehyde

1161-0029 Screening compound: 3,4-dinitrobenzaldehyde
1161-0029 Screening compound: 3,4-dinitrobenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1161-0029
3,4-dinitrobenzaldehyde

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

1161-0029

Molecular Formula

C7H4N2O5 (C7 H4 N2 O5)

Compound Name

3,4-dinitrobenzaldehyde

IUPAC name

34-dinitrobenzaldehyde

SMILES

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

InChI

InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-4H

InChI Key

HWEAXMDJIUCDRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-1.87

Polar Surface Area

80.559

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1161-0029 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1161-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1161-0029?
Check Price and Availability of 1161-0029, 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 1161-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1161-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1161-0029
  • 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 1161-0029 available by request