E216-0296 Screening compound: ethyl 4-[1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate

E216-0296 Screening compound: ethyl 4-[1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate
E216-0296 Screening compound: ethyl 4-[1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0296
ethyl 4-[1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate

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

E216-0296

Molecular Formula

C24H33ClN4O5 (C24 H33 ClN4 O5)

Compound Name

ethyl 4-[1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[1-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(CC1)CCN1C(N1c(cc(cc2)Cl)c2OC(C)C1)=O)=O)=O

InChI

InChI=1S/C24H33ClN4O5/c1-3-33-24(32)28-12-8-19(9-13-28)26-22(30)17-6-10-27(11-7-17)23(31)29-15-16(2)34-21-5-4-18(25)14-20(21)29/h4-5,14,16-17,19H,3,6-13,15H2,1-2H3,(H,26,30)/t16-/m1/s1

InChI Key

XHHBZWLCYMMAJE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14847676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.49

Polar Surface Area

71.324

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

E216-0296 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E216-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0296?
Check Price and Availability of E216-0296, 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 E216-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0296
  • 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 E216-0296 available by request