E589-1330 Screening compound: 2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide

E589-1330 Screening compound: 2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
E589-1330 Screening compound: 2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1330
2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)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

E589-1330

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCCCC3)(=O)=O)c2OCC1=O)NCCc1ccccc1

InChI

InChI=1S/C23H27N3O5S/c27-22(24-12-11-18-7-3-1-4-8-18)16-26-20-15-19(9-10-21(20)31-17-23(26)28)32(29,30)25-13-5-2-6-14-25/h1,3-4,7-10,15H,2,5-6,11-14,16-17H2,(H,24,27)

InChI Key

XWIYDAMGMBNRCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.79

Polar Surface Area

80.092

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with E589-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1330?
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What is the minimum amount of E589-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1330
  • 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 E589-1330 available by request