1172-0625 Screening compound: 2,3-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic acid

1172-0625 Screening compound: 2,3-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic acid
1172-0625 Screening compound: 2,3-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1172-0625
2,3-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic 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

1172-0625

Molecular Formula

C17H15N3O7 (C17 H15 N3 O7)

Compound Name

2,3-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic acid

IUPAC name

23-dimethoxy-6-[(E)-{[(3-nitrophenyl)formamido]imino}methyl]benzoic acid

SMILES

COc(ccc(/C=N/NC(c1cccc([N+]([O-])=O)c1)=O)c1C(O)=O)c1OC

InChI

InChI=1S/C17H15N3O7/c1-26-13-7-6-11(14(17(22)23)15(13)27-2)9-18-19-16(21)10-4-3-5-12(8-10)20(24)25/h3-9H,1-2H3,(H,19,21)(H,22,23)

InChI Key

LMMSTEBQYVEOSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

-0.465

Water Solubility, LogSw

-2.97

Polar Surface Area

112.691

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 1172-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1172-0625?
Check Price and Availability of 1172-0625, 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 1172-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1172-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1172-0625
  • 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 1172-0625 available by request