8005-4011 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate

8005-4011 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate
8005-4011 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4011
4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate

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

8005-4011

Molecular Formula

C25H20N4O5 (C25 H20 N4 O5)

Compound Name

4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate

IUPAC name

4-[(E)-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-nitrophenyl benzoate

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C/c(cc1)cc([N+]([O-])=O)c1OC(c1ccccc1)=O

InChI

InChI=1S/C25H20N4O5/c1-17-23(24(30)28(27(17)2)20-11-7-4-8-12-20)26-16-18-13-14-22(21(15-18)29(32)33)34-25(31)19-9-5-3-6-10-19/h3-16H,1-2H3

InChI Key

UXENZVMAYDKNAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.60

Polar Surface Area

82.292

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 8005-4011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4011?
Check Price and Availability of 8005-4011, 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 8005-4011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4011
  • 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 8005-4011 available by request