3800-0103 Screening compound: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one

3800-0103 Screening compound: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one
3800-0103 Screening compound: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3800-0103
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one

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

3800-0103

Molecular Formula

C18H18ClN3O3 (C18 H18 ClN3 O3)

Compound Name

1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one

IUPAC name

1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-phenylethan-1-one

SMILES

[O-][N+](c(cc1)cc(Cl)c1N(CC1)CCN1C(Cc1ccccc1)=O)=O

InChI

InChI=1S/C18H18ClN3O3/c19-16-13-15(22(24)25)6-7-17(16)20-8-10-21(11-9-20)18(23)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2

InChI Key

VXQCLQGBJAQKLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.14

Polar Surface Area

52.700

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 3800-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3800-0103?
Check Price and Availability of 3800-0103, 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 3800-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3800-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3800-0103
  • 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 3800-0103 available by request