E589-1400 Screening compound: N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E589-1400 Screening compound: N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E589-1400 Screening compound: N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1400
N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

E589-1400

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-benzyl-2-[3-oxo-6-(piperidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCCC3)(=O)=O)c2OCC1=O)NCc1ccccc1

InChI

InChI=1S/C22H25N3O5S/c26-21(23-14-17-7-3-1-4-8-17)15-25-19-13-18(9-10-20(19)30-16-22(25)27)31(28,29)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14-16H2,(H,23,26)

InChI Key

XSTYLZOALMUSJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.89

Polar Surface Area

80.251

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E589-1400 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E589-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1400?
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What is the minimum amount of E589-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1400
  • 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 E589-1400 available by request