E015-0912 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide

E015-0912 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
E015-0912 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0912
4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-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

E015-0912

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

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

IUPAC name

4-(26-dimethyl-34-dihydro-2H-14-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide

SMILES

CCOc1ccc(CNC(CCC(N2c(cc(C)cc3)c3OC(C)C2)=O)=O)cc1

InChI

InChI=1S/C23H28N2O4/c1-4-28-19-8-6-18(7-9-19)14-24-22(26)11-12-23(27)25-15-17(3)29-21-10-5-16(2)13-20(21)25/h5-10,13,17H,4,11-12,14-15H2,1-3H3,(H,24,26)/t17-/m1/s1

InChI Key

LRKURQBCLTZPRA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14838261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.55

Polar Surface Area

53.667

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with E015-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0912?
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What is the minimum amount of E015-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0912
  • 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 E015-0912 available by request