4100-3375 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate

4100-3375 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate
4100-3375 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3375
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate

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

4100-3375

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)=O

InChI

InChI=1S/C21H22N2O5/c1-15(24)28-18-5-3-17(4-6-18)21(25)23-10-8-22(9-11-23)13-16-2-7-19-20(12-16)27-14-26-19/h2-7,12H,8-11,13-14H2,1H3

InChI Key

JQPGIZVMHZKOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-2.32

Polar Surface Area

58.294

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4100-3375 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4100-3375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3375?
Check Price and Availability of 4100-3375, 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 4100-3375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3375
  • 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 4100-3375 available by request