E216-5229 Screening compound: N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

E216-5229 Screening compound: N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
E216-5229 Screening compound: N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5229
N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-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

E216-5229

Molecular Formula

C19H21ClN2O2 (C19 H21 ClN2 O2)

Compound Name

N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazine-4-carboxamide

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1C(Nc1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C19H21ClN2O2/c1-4-15-11-22(17-9-12(2)5-8-18(17)24-15)19(23)21-16-10-14(20)7-6-13(16)3/h5-10,15H,4,11H2,1-3H3,(H,21,23)/t15-/m1/s1

InChI Key

IBGJXVZPNZUNPJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14848174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.46

Polar Surface Area

30.917

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E216-5229 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E216-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5229?
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What is the minimum amount of E216-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5229
  • 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 E216-5229 available by request