1436-0017 Screening compound: (4Z)-2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE 4-[O-(3-NITROBENZOYL)OXIME]

1436-0017 Screening compound: (4Z)-2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE 4-[O-(3-NITROBENZOYL)OXIME]
1436-0017 Screening compound: (4Z)-2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE 4-[O-(3-NITROBENZOYL)OXIME] alternative view

Chemical Structure Depiction of ChemDiv screening compound 1436-0017
(4Z)-2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE 4-[O-(3-NITROBENZOYL)OXIME]

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

1436-0017

Molecular Formula

C17H16N2O5 (C17 H16 N2 O5)

Compound Name

(4Z)-2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE 4-[O-(3-NITROBENZOYL)OXIME]

IUPAC name

n/a

SMILES

CC(C)C(C(C=C1C)=O)=C/C1=N/OC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C17H16N2O5/c1-10(2)14-9-15(11(3)7-16(14)20)18-24-17(21)12-5-4-6-13(8-12)19(22)23/h4-10H,1-3H3

InChI Key

MTQALLSXLREZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-3.93

Polar Surface Area

78.383

Acid Dissociation Constant (pKa)

30.60

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

1436-0017 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1436-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1436-0017?
Check Price and Availability of 1436-0017, 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 1436-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1436-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1436-0017
  • 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 1436-0017 available by request