E015-1688 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide

E015-1688 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide
E015-1688 Screening compound: 4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(thiophen-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1688
4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(thiophen-2-yl)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

E015-1688

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1c(cccc2)c2OCC1)=O)NCc1cccs1

InChI

InChI=1S/C17H18N2O3S/c20-16(18-12-13-4-3-11-23-13)7-8-17(21)19-9-10-22-15-6-2-1-5-14(15)19/h1-6,11H,7-10,12H2,(H,18,20)

InChI Key

HGJKYXFVZZFOTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-2.47

Polar Surface Area

48.465

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E015-1688 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E015-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1688?
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What is the minimum amount of E015-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1688
  • 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 E015-1688 available by request