E240-0135 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]piperazine

E240-0135 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]piperazine
E240-0135 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E240-0135
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]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

E240-0135

Molecular Formula

C22H20FN3O4 (C22 H20 FN3 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(4-fluorophenyl)-12-oxazole-5-carbonyl]piperazine

SMILES

O=C(c1cc(-c(cc2)ccc2F)no1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C22H20FN3O4/c23-17-4-2-16(3-5-17)18-12-21(30-24-18)22(27)26-9-7-25(8-10-26)13-15-1-6-19-20(11-15)29-14-28-19/h1-6,11-12H,7-10,13-14H2

InChI Key

QMNSVICCFZQMIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.54

Polar Surface Area

59.078

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E240-0135 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E240-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E240-0135?
Check Price and Availability of E240-0135, 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 E240-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E240-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E240-0135
  • 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 E240-0135 available by request