E589-1287 Screening compound: N-(4-fluorophenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E589-1287 Screening compound: N-(4-fluorophenyl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E589-1287 Screening compound: N-(4-fluorophenyl)-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 E589-1287
N-(4-fluorophenyl)-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

E589-1287

Molecular Formula

C21H22FN3O5S (C21 H22 FN3 O5 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-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)Nc(cc1)ccc1F

InChI

InChI=1S/C21H22FN3O5S/c22-15-4-6-16(7-5-15)23-20(26)13-25-18-12-17(8-9-19(18)30-14-21(25)27)31(28,29)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,26)

InChI Key

BJZJUDLVPVFGJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.23

Polar Surface Area

78.929

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E589-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1287?
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What is the minimum amount of E589-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1287
  • 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 E589-1287 available by request