0344-0005 Screening compound: 3-acetamido-5-nitrobenzoic acid

0344-0005 Screening compound: 3-acetamido-5-nitrobenzoic acid
0344-0005 Screening compound: 3-acetamido-5-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0344-0005
3-acetamido-5-nitrobenzoic 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

0344-0005

Molecular Formula

C9H8N2O5 (C9 H8 N2 O5)

Compound Name

3-acetamido-5-nitrobenzoic acid

IUPAC name

3-acetamido-5-nitrobenzoic acid

SMILES

CC(Nc1cc(C(O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C9H8N2O5/c1-5(12)10-7-2-6(9(13)14)3-8(4-7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)

InChI Key

PXAFGNQRBIXGLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.17

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

1.582

Distribution Coefficient, logD

-1.729

Water Solubility, LogSw

-2.22

Polar Surface Area

85.290

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 0344-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0344-0005?
Check Price and Availability of 0344-0005, 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 0344-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0344-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0344-0005
  • 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 0344-0005 available by request