E015-1122 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-1122 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-1122 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1122
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(6-methyl-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

E015-1122

Molecular Formula

C25H32N2O5 (C25 H32 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(CCC(N1c(cc(C)cc2)c2OCC1)=O)=O)c1)c1OCC

InChI

InChI=1S/C25H32N2O5/c1-4-30-22-9-7-19(17-23(22)31-5-2)12-13-26-24(28)10-11-25(29)27-14-15-32-21-8-6-18(3)16-20(21)27/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,26,28)

InChI Key

IHLGOZOUAIPLQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.76

Polar Surface Area

61.709

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with E015-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1122?
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What is the minimum amount of E015-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1122
  • 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 E015-1122 available by request