E015-1820 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

E015-1820 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
E015-1820 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1820
4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]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

E015-1820

Molecular Formula

C22H26N2O4 (C22 H26 N2 O4)

Compound Name

4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

IUPAC name

4-(34-dihydro-2H-14-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

SMILES

CCCOc1ccc(CNC(CCC(N2c(cccc3)c3OCC2)=O)=O)cc1

InChI

InChI=1S/C22H26N2O4/c1-2-14-27-18-9-7-17(8-10-18)16-23-21(25)11-12-22(26)24-13-15-28-20-6-4-3-5-19(20)24/h3-10H,2,11-16H2,1H3,(H,23,25)

InChI Key

REJLAVQNOJNLOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.35

Polar Surface Area

54.864

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E015-1820 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E015-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1820?
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What is the minimum amount of E015-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1820
  • 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 E015-1820 available by request