E216-5412 Screening compound: 2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

E216-5412 Screening compound: 2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine
E216-5412 Screening compound: 2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5412
2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

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

E216-5412

Molecular Formula

C27H33FN4O3 (C27 H33 FN4 O3)

Compound Name

2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

2-ethyl-4-{4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(N(CC1)CCN1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C27H33FN4O3/c1-2-23-19-32(24-5-3-4-6-25(24)35-23)27(34)31-13-11-20(12-14-31)26(33)30-17-15-29(16-18-30)22-9-7-21(28)8-10-22/h3-10,20,23H,2,11-19H2,1H3/t23-/m1/s1

InChI Key

KYSPSOCTLAOOAT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14848281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.05

Polar Surface Area

44.509

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E216-5412 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 E216-5412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5412?
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What is the minimum amount of E216-5412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5412
  • 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 E216-5412 available by request