3702-0452 Screening compound: 1-(4-nitrobenzoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

3702-0452 Screening compound: 1-(4-nitrobenzoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
3702-0452 Screening compound: 1-(4-nitrobenzoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-0452
1-(4-nitrobenzoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]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

3702-0452

Molecular Formula

C21H25N3O6 (C21 H25 N3 O6)

Compound Name

1-(4-nitrobenzoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-(4-nitrobenzoyl)-4-[(234-trimethoxyphenyl)methyl]piperazine

SMILES

COc(ccc(CN(CC1)CCN1C(c(cc1)ccc1[N+]([O-])=O)=O)c1OC)c1OC

InChI

InChI=1S/C21H25N3O6/c1-28-18-9-6-16(19(29-2)20(18)30-3)14-22-10-12-23(13-11-22)21(25)15-4-7-17(8-5-15)24(26)27/h4-9H,10-14H2,1-3H3

InChI Key

DIGFDMVBHXPUHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02044934

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.59

Polar Surface Area

76.873

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3702-0452 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 3702-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-0452?
Check Price and Availability of 3702-0452, 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 3702-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-0452
  • 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 3702-0452 available by request