5947-0070 Screening compound: 2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]acetic acid

5947-0070 Screening compound: 2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]acetic acid
5947-0070 Screening compound: 2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5947-0070
2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]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

5947-0070

Molecular Formula

C11H8N2O6 (C11 H8 N2 O6)

Compound Name

2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]acetic acid

IUPAC name

2-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]acetic acid

SMILES

[O-][N+](C(C(Oc1c2cccc1)=O)=C2NCC(O)=O)=O

InChI

InChI=1S/C11H8N2O6/c14-8(15)5-12-9-6-3-1-2-4-7(6)19-11(16)10(9)13(17)18/h1-4,12H,5H2,(H,14,15)

InChI Key

GBUPCUONHLYFIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.113

Distribution Coefficient, logD

-3.541

Water Solubility, LogSw

-2.22

Polar Surface Area

93.549

Acid Dissociation Constant (pKa)

3.97

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 5947-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5947-0070?
Check Price and Availability of 5947-0070, 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 5947-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5947-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5947-0070
  • 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 5947-0070 available by request