E216-0355 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(propan-2-yl)piperidine-4-carboxamide

E216-0355 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(propan-2-yl)piperidine-4-carboxamide
E216-0355 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(propan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0355
1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(propan-2-yl)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

E216-0355

Molecular Formula

C19H26ClN3O3 (C19 H26 ClN3 O3)

Compound Name

1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(propan-2-yl)piperidine-4-carboxamide

IUPAC name

1-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-(propan-2-yl)piperidine-4-carboxamide

SMILES

CC(C)NC(C(CC1)CCN1C(N1c(cc(cc2)Cl)c2OC(C)C1)=O)=O

InChI

InChI=1S/C19H26ClN3O3/c1-12(2)21-18(24)14-6-8-22(9-7-14)19(25)23-11-13(3)26-17-5-4-15(20)10-16(17)23/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,21,24)/t13-/m1/s1

InChI Key

QVCXHJBTKTUBAP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14847694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.54

Polar Surface Area

48.065

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

E216-0355 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E216-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0355?
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What is the minimum amount of E216-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0355
  • 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 E216-0355 available by request