E015-0840 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxobutanamide

E015-0840 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxobutanamide
E015-0840 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0840
4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-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

E015-0840

Molecular Formula

C23H36N4O3 (C23 H36 N4 O3)

Compound Name

4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxobutanamide

IUPAC name

4-(26-dimethyl-34-dihydro-2H-14-benzoxazin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxobutanamide

SMILES

CCN1CCN(CCCNC(CCC(N2c(cc(C)cc3)c3OC(C)C2)=O)=O)CC1

InChI

InChI=1S/C23H36N4O3/c1-4-25-12-14-26(15-13-25)11-5-10-24-22(28)8-9-23(29)27-17-19(3)30-21-7-6-18(2)16-20(21)27/h6-7,16,19H,4-5,8-15,17H2,1-3H3,(H,24,28)/t19-/m1/s1

InChI Key

YWWPYKCJOQGVEY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14838247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

0.297

Water Solubility, LogSw

-2.19

Polar Surface Area

53.905

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

E015-0840 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D

References: we are preparing a list of scientific research reports with E015-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0840?
Check Price and Availability of E015-0840, 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 E015-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0840
  • 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 E015-0840 available by request