R049-0030 Screening compound: 2-(2-nitrophenyl)acetic acid

R049-0030 Screening compound: 2-(2-nitrophenyl)acetic acid
R049-0030 Screening compound: 2-(2-nitrophenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R049-0030
2-(2-nitrophenyl)acetic 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

R049-0030

Molecular Formula

C8H7NO4 (C8 H7 NO4)

Compound Name

2-(2-nitrophenyl)acetic acid

IUPAC name

2-(2-nitrophenyl)acetic acid

SMILES

[O-][N+](c1c(CC(O)=O)cccc1)=O

InChI

InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)

InChI Key

WMUZDBZPDLHUMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

181.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

-1.516

Water Solubility, LogSw

-1.65

Polar Surface Area

61.703

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

R049-0030 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R049-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R049-0030?
Check Price and Availability of R049-0030, 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 R049-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R049-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R049-0030
  • 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 R049-0030 available by request