E015-1086 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-1086 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-1086 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1086
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

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

E015-1086

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

Cc(cc1)cc2c1OCCN2C(CCC(NCCC1=CCCCC1)=O)=O

InChI

InChI=1S/C21H28N2O3/c1-16-7-8-19-18(15-16)23(13-14-26-19)21(25)10-9-20(24)22-12-11-17-5-3-2-4-6-17/h5,7-8,15H,2-4,6,9-14H2,1H3,(H,22,24)

InChI Key

JJGMHAFABFQSNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-2.97

Polar Surface Area

47.480

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with E015-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1086?
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What is the minimum amount of E015-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1086
  • 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 E015-1086 available by request