1049-0001 Screening compound: 4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol

1049-0001 Screening compound: 4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol
1049-0001 Screening compound: 4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1049-0001
4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol

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

1049-0001

Molecular Formula

C16H11N3O3 (C16 H11 N3 O3)

Compound Name

4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol

IUPAC name

4-nitro-2-[(E)-[(quinolin-6-yl)imino]methyl]phenol

SMILES

[O-][N+](c(cc1)cc(/C=N/c2cc3cccnc3cc2)c1O)=O

InChI

InChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H

InChI Key

FUONIBGOHUAYPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-3.02

Polar Surface Area

67.058

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1049-0001 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1049-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1049-0001?
Check Price and Availability of 1049-0001, 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 1049-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1049-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1049-0001
  • 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 1049-0001 available by request