3701-0358 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol

3701-0358 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol
3701-0358 Screening compound: 2,6-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0358
2,6-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol

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

3701-0358

Molecular Formula

C20H23N3O6 (C20 H23 N3 O6)

Compound Name

2,6-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol

IUPAC name

26-dimethoxy-4-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}phenol

SMILES

COc1cc(CN(CC2)CCN2C(c(cc2)ccc2[N+]([O-])=O)=O)cc(OC)c1O

InChI

InChI=1S/C20H23N3O6/c1-28-17-11-14(12-18(29-2)19(17)24)13-21-7-9-22(10-8-21)20(25)15-3-5-16(6-4-15)23(26)27/h3-6,11-12,24H,7-10,13H2,1-2H3

InChI Key

ZGJGMVFRKZQSAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053113

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

0.091

Water Solubility, LogSw

-2.09

Polar Surface Area

84.549

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3701-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0358?
Check Price and Availability of 3701-0358, 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 3701-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0358
  • 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 3701-0358 available by request