E015-0421 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide

E015-0421 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide
E015-0421 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0421
4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide

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

E015-0421

Molecular Formula

C22H25ClN2O3 (C22 H25 ClN2 O3)

Compound Name

4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide

IUPAC name

4-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxo-N-(3-phenylpropyl)butanamide

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(CCC(NCCCc1ccccc1)=O)=O

InChI

InChI=1S/C22H25ClN2O3/c1-16-15-25(19-14-18(23)9-10-20(19)28-16)22(27)12-11-21(26)24-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,16H,5,8,11-13,15H2,1H3,(H,24,26)/t16-/m1/s1

InChI Key

WTPGPZPTVOFMCK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14838151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.27

Polar Surface Area

46.385

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E015-0421 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E015-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0421?
Check Price and Availability of E015-0421, 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 E015-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0421
  • 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 E015-0421 available by request