E015-0102 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide

E015-0102 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
E015-0102 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0102
4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E015-0102

Molecular Formula

C22H25ClN2O5 (C22 H25 ClN2 O5)

Compound Name

4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide

IUPAC name

4-(6-chloro-34-dihydro-2H-14-benzoxazin-4-yl)-N-[2-(34-dimethoxyphenyl)ethyl]-4-oxobutanamide

SMILES

COc(ccc(CCNC(CCC(N1c(cc(cc2)Cl)c2OCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C22H25ClN2O5/c1-28-19-5-3-15(13-20(19)29-2)9-10-24-21(26)7-8-22(27)25-11-12-30-18-6-4-16(23)14-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H,24,26)

InChI Key

HQOCSBVOIBOPBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.9

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

1.969

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.98

Polar Surface Area

62.549

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E015-0102 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E015-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0102?
Check Price and Availability of E015-0102, 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 E015-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0102
  • 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 E015-0102 available by request