E589-1608 Screening compound: 4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

E589-1608 Screening compound: 4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
E589-1608 Screening compound: 4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1608
4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

E589-1608

Molecular Formula

C18H23N3O7S (C18 H23 N3 O7 S)

Compound Name

4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-[2-(morpholin-4-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)N1CCOCC1

InChI

InChI=1S/C18H23N3O7S/c22-17(19-3-7-26-8-4-19)12-21-15-11-14(1-2-16(15)28-13-18(21)23)29(24,25)20-5-9-27-10-6-20/h1-2,11H,3-10,12-13H2

InChI Key

ILMFJKROVNUDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.645

Distribution Coefficient, logD

-0.645

Water Solubility, LogSw

-2.15

Polar Surface Area

87.989

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E589-1608 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E589-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1608?
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What is the minimum amount of E589-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1608
  • 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 E589-1608 available by request