E216-5390 Screening compound: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

E216-5390 Screening compound: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
E216-5390 Screening compound: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5390
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-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

E216-5390

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-ethyl-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(N1CCCCCC1)=O)=O

InChI

InChI=1S/C23H33N3O3/c1-2-19-17-26(20-9-5-6-10-21(20)29-19)23(28)25-15-11-18(12-16-25)22(27)24-13-7-3-4-8-14-24/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3/t19-/m1/s1

InChI Key

UEXFPCNOQIDSCA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14848271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-3.84

Polar Surface Area

41.579

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

E216-5390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E216-5390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5390?
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What is the minimum amount of E216-5390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5390
  • 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 E216-5390 available by request