1456-0014 Screening compound: methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate

1456-0014 Screening compound: methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate
1456-0014 Screening compound: methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1456-0014
methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate

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

1456-0014

Molecular Formula

C17H12N4O6 (C17 H12 N4 O6)

Compound Name

methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate

IUPAC name

methyl 4-[(57-dinitroquinolin-8-yl)amino]benzoate

SMILES

COC(c(cc1)ccc1Nc(c1ncccc1c([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H12N4O6/c1-27-17(22)10-4-6-11(7-5-10)19-16-14(21(25)26)9-13(20(23)24)12-3-2-8-18-15(12)16/h2-9,19H,1H3

InChI Key

TYMUHWYHFSHZAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.89

Polar Surface Area

104.624

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1456-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1456-0014?
Check Price and Availability of 1456-0014, 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 1456-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1456-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1456-0014
  • 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 1456-0014 available by request