E216-1592 Screening compound: 1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

E216-1592 Screening compound: 1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
E216-1592 Screening compound: 1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-1592
1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

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

E216-1592

Molecular Formula

C24H28FN3O3 (C24 H28 FN3 O3)

Compound Name

1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(26-dimethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

SMILES

CC(C1)Oc(ccc(C)c2)c2N1C(N(CC1)CCC1C(NCc1cccc(F)c1)=O)=O

InChI

InChI=1S/C24H28FN3O3/c1-16-6-7-22-21(12-16)28(15-17(2)31-22)24(30)27-10-8-19(9-11-27)23(29)26-14-18-4-3-5-20(25)13-18/h3-7,12-13,17,19H,8-11,14-15H2,1-2H3,(H,26,29)/t17-/m1/s1

InChI Key

HTCTXZDTHXUYAT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14847880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.79

Polar Surface Area

48.819

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with E216-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-1592?
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What is the minimum amount of E216-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-1592
  • 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 E216-1592 available by request