V002-4827 Screening compound: N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide

V002-4827 Screening compound: N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide
V002-4827 Screening compound: N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4827
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide

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

V002-4827

Molecular Formula

C27H34N6O4 (C27 H34 N6 O4)

Compound Name

N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide

IUPAC name

N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzamide

SMILES

CCN(CC1)CCN1c1c(CN(CCOC)C(c(cc2)ccc2[N+]([O-])=O)=O)c(C)nn1-c1ccccc1

InChI

InChI=1S/C27H34N6O4/c1-4-29-14-16-30(17-15-29)26-25(21(2)28-32(26)23-8-6-5-7-9-23)20-31(18-19-37-3)27(34)22-10-12-24(13-11-22)33(35)36/h5-13H,4,14-20H2,1-3H3

InChI Key

OPMLEVFRSHMQRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940800

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

1.202

Water Solubility, LogSw

-3.38

Polar Surface Area

78.365

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V002-4827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4827?
Check Price and Availability of V002-4827, 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 V002-4827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4827
  • 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 V002-4827 available by request