E015-1694 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-1694 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-1694 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1694
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(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

E015-1694

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1c(cccc2)c2OCC1)=O)NCCC1=CCCCC1

InChI

InChI=1S/C20H26N2O3/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h4-6,8-9H,1-3,7,10-15H2,(H,21,23)

InChI Key

FJMMGPMKOXJDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

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

2.207

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-2.56

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

50.00

E015-1694 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E015-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1694?
Check Price and Availability of E015-1694, 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 E015-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1694
  • 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 E015-1694 available by request