8016-9413 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

8016-9413 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine
8016-9413 Screening compound: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9413
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

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

8016-9413

Molecular Formula

C25H29N5O6 (C25 H29 N5 O6)

Compound Name

1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

IUPAC name

1-[3-(35-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(345-trimethoxybenzoyl)piperazine

SMILES

Cc1cc(C)nn1-c(cc(cc1)N(CC2)CCN2C(c(cc2OC)cc(OC)c2OC)=O)c1[N+]([O-])=O

InChI

InChI=1S/C25H29N5O6/c1-16-12-17(2)29(26-16)21-15-19(6-7-20(21)30(32)33)27-8-10-28(11-9-27)25(31)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-7,12-15H,8-11H2,1-5H3

InChI Key

NHSHUQIHNCGYQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.81

Polar Surface Area

89.776

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

8016-9413 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8016-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9413?
Check Price and Availability of 8016-9413, 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 8016-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9413
  • 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 8016-9413 available by request