E216-5789 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5789 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5789 Screening compound: N-[(4-ethoxyphenyl)methyl]-1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5789
N-[(4-ethoxyphenyl)methyl]-1-(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)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

E216-5789

Molecular Formula

C27H35N3O4 (C27 H35 N3 O4)

Compound Name

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

IUPAC name

N-[(4-ethoxyphenyl)methyl]-1-(2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1C(N(CC1)CCC1C(NCc(cc1)ccc1OCC)=O)=O

InChI

InChI=1S/C27H35N3O4/c1-4-22-18-30(24-16-19(3)6-11-25(24)34-22)27(32)29-14-12-21(13-15-29)26(31)28-17-20-7-9-23(10-8-20)33-5-2/h6-11,16,21-22H,4-5,12-15,17-18H2,1-3H3,(H,28,31)/t22-/m1/s1

InChI Key

AEQXYHZMPFMSGX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14848427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.13

Polar Surface Area

56.137

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E216-5789 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E216-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5789?
Check Price and Availability of E216-5789, 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 E216-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5789
  • 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 E216-5789 available by request