4964-1676 Screening compound: 3-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole

4964-1676 Screening compound: 3-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole
4964-1676 Screening compound: 3-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-1676
3-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole

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

4964-1676

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

3-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole

IUPAC name

3-{[4-(35-dimethoxybenzoyl)piperazin-1-yl]methyl}-1H-indole

SMILES

COc1cc(C(N2CCN(Cc3c[nH]c4c3cccc4)CC2)=O)cc(OC)c1

InChI

InChI=1S/C22H25N3O3/c1-27-18-11-16(12-19(13-18)28-2)22(26)25-9-7-24(8-10-25)15-17-14-23-21-6-4-3-5-20(17)21/h3-6,11-14,23H,7-10,15H2,1-2H3

InChI Key

ZSIIVRYIAXJHAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.29

Polar Surface Area

45.386

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

4964-1676 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4964-1676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-1676?
Check Price and Availability of 4964-1676, 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 4964-1676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-1676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-1676
  • 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 4964-1676 available by request