3617-2101 Screening compound: 1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)piperazine

3617-2101 Screening compound: 1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)piperazine
3617-2101 Screening compound: 1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-2101
1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)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

3617-2101

Molecular Formula

C19H20ClN3O4 (C19 H20 ClN3 O4)

Compound Name

1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)piperazine

IUPAC name

1-(3-chloro-4-ethoxybenzoyl)-4-(4-nitrophenyl)piperazine

SMILES

CCOc(ccc(C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)c1)c1Cl

InChI

InChI=1S/C19H20ClN3O4/c1-2-27-18-8-3-14(13-17(18)20)19(24)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(25)26/h3-8,13H,2,9-12H2,1H3

InChI Key

ZUSCNQZSNAWNEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.78

Polar Surface Area

60.739

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3617-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-2101?
Check Price and Availability of 3617-2101, 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 3617-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-2101
  • 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 3617-2101 available by request