0988-0027 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol

0988-0027 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol
0988-0027 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0027
2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol

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

0988-0027

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol

IUPAC name

2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-4-nitrophenol

SMILES

CN(c1ccccc1)/N=C/c(cc(cc1)[N+]([O-])=O)c1O

InChI

InChI=1S/C14H13N3O3/c1-16(12-5-3-2-4-6-12)15-10-11-9-13(17(19)20)7-8-14(11)18/h2-10,18H,1H3

InChI Key

OLHPHMNXKNGHBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.20

Polar Surface Area

61.916

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0988-0027 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0988-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0027?
Check Price and Availability of 0988-0027, 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 0988-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0027
  • 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 0988-0027 available by request