8006-7483 Screening compound: ethyl 5-{[(E)-1-(2-hydroxy-5-nitrophenyl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carboxylate

8006-7483 Screening compound: ethyl 5-{[(E)-1-(2-hydroxy-5-nitrophenyl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carboxylate
8006-7483 Screening compound: ethyl 5-{[(E)-1-(2-hydroxy-5-nitrophenyl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7483
ethyl 5-{[(E)-1-(2-hydroxy-5-nitrophenyl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carboxylate

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

8006-7483

Molecular Formula

C19H16N4O5 (C19 H16 N4 O5)

Compound Name

ethyl 5-{[(E)-1-(2-hydroxy-5-nitrophenyl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-[(E)-[(2-hydroxy-5-nitrophenyl)methylidene]amino]-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

CCOC(c(cnn1-c2ccccc2)c1/N=C/c(cc(cc1)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C19H16N4O5/c1-2-28-19(25)16-12-21-22(14-6-4-3-5-7-14)18(16)20-11-13-10-15(23(26)27)8-9-17(13)24/h3-12,24H,2H2,1H3

InChI Key

VYNCPVDEILUJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00501553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.319

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.95

Polar Surface Area

92.786

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8006-7483 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-7483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7483?
Check Price and Availability of 8006-7483, 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 8006-7483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7483
  • 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 8006-7483 available by request