K017-0125 Screening compound: (3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

K017-0125 Screening compound: (3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one
K017-0125 Screening compound: (3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K017-0125
(3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

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

K017-0125

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

(3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-3-[2-(4-tert-butylphenyl)hydrazin-1-ylidene]-5-nitro-23-dihydro-1H-indol-2-one

SMILES

CC(C)(C)c(cc1)ccc1N/N=C(\c(cc(cc1)[N+]([O-])=O)c1N1)/C1=O

InChI

InChI=1S/C18H18N4O3/c1-18(2,3)11-4-6-12(7-5-11)20-21-16-14-10-13(22(24)25)8-9-15(14)19-17(16)23/h4-10,20H,1-3H3,(H,19,21,23)

InChI Key

RUCKUTLIKYXVGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-4.62

Polar Surface Area

78.567

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K017-0125 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K017-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K017-0125?
Check Price and Availability of K017-0125, 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 K017-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K017-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K017-0125
  • 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 K017-0125 available by request