3381-0478 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

3381-0478 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine
3381-0478 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0478
1-[(3-bromo-4-methoxyphenyl)methyl]-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

3381-0478

Molecular Formula

C22H27BrN2O5 (C22 H27 BrN2 O5)

Compound Name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

IUPAC name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(345-trimethoxybenzoyl)piperazine

SMILES

COc(ccc(CN(CC1)CCN1C(c(cc1OC)cc(OC)c1OC)=O)c1)c1Br

InChI

InChI=1S/C22H27BrN2O5/c1-27-18-6-5-15(11-17(18)23)14-24-7-9-25(10-8-24)22(26)16-12-19(28-2)21(30-4)20(13-16)29-3/h5-6,11-13H,7-10,14H2,1-4H3

InChI Key

WJQKKQZWFGQCFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825887

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

479.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.97

Polar Surface Area

51.035

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

3381-0478 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 3381-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0478?
Check Price and Availability of 3381-0478, 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 3381-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0478
  • 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 3381-0478 available by request