3701-0418 Screening compound: 1-(3,5-dimethoxybenzoyl)-4-[(4-nitrophenyl)methyl]piperazine

3701-0418 Screening compound: 1-(3,5-dimethoxybenzoyl)-4-[(4-nitrophenyl)methyl]piperazine
3701-0418 Screening compound: 1-(3,5-dimethoxybenzoyl)-4-[(4-nitrophenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0418
1-(3,5-dimethoxybenzoyl)-4-[(4-nitrophenyl)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

3701-0418

Molecular Formula

C20H23N3O5 (C20 H23 N3 O5)

Compound Name

1-(3,5-dimethoxybenzoyl)-4-[(4-nitrophenyl)methyl]piperazine

IUPAC name

1-(35-dimethoxybenzoyl)-4-[(4-nitrophenyl)methyl]piperazine

SMILES

COc1cc(C(N2CCN(Cc(cc3)ccc3[N+]([O-])=O)CC2)=O)cc(OC)c1

InChI

InChI=1S/C20H23N3O5/c1-27-18-11-16(12-19(13-18)28-2)20(24)22-9-7-21(8-10-22)14-15-3-5-17(6-4-15)23(25)26/h3-6,11-13H,7-10,14H2,1-2H3

InChI Key

GEGIKKOQJRVKCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105669

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.74

Polar Surface Area

68.896

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3701-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0418?
Check Price and Availability of 3701-0418, 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 3701-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0418
  • 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 3701-0418 available by request