3381-0843 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine

3381-0843 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
3381-0843 Screening compound: 1-[(2-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0843
1-[(2-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-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

3381-0843

Molecular Formula

C20H24ClN3O4 (C20 H24 ClN3 O4)

Compound Name

1-[(2-chlorophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine

IUPAC name

1-[(2-chlorophenyl)methyl]-4-[(45-dimethoxy-2-nitrophenyl)methyl]piperazine

SMILES

COc(c(OC)c1)cc(CN2CCN(Cc(cccc3)c3Cl)CC2)c1[N+]([O-])=O

InChI

InChI=1S/C20H24ClN3O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-9-7-22(8-10-23)13-15-5-3-4-6-17(15)21/h3-6,11-12H,7-10,13-14H2,1-2H3

InChI Key

YFHQCKBIYISACF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829257

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

405.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.63

Polar Surface Area

55.853

Acid Dissociation Constant (pKa)

28.20

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3381-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0843?
Check Price and Availability of 3381-0843, 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 3381-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0843
  • 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 3381-0843 available by request