E589-1389 Screening compound: N-(2-methoxy-5-methylphenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E589-1389 Screening compound: N-(2-methoxy-5-methylphenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E589-1389 Screening compound: N-(2-methoxy-5-methylphenyl)-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 E589-1389
N-(2-methoxy-5-methylphenyl)-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

E589-1389

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

Cc(cc1)cc(NC(CN2c(cc(cc3)S(N4CCCCC4)(=O)=O)c3OCC2=O)=O)c1OC

InChI

InChI=1S/C23H27N3O6S/c1-16-6-8-20(31-2)18(12-16)24-22(27)14-26-19-13-17(7-9-21(19)32-15-23(26)28)33(29,30)25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,27)

InChI Key

FEVXFHODMSDIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.00

Polar Surface Area

85.861

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E589-1389 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E589-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1389?
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What is the minimum amount of E589-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1389
  • 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 E589-1389 available by request