E589-3720 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide

E589-3720 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide
E589-3720 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3720
2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide

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

E589-3720

Molecular Formula

C24H35N3O5S (C24 H35 N3 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-cyclooctylacetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)NC1CCCCCCC1

InChI

InChI=1S/C24H35N3O5S/c28-23(25-19-10-6-2-1-3-7-11-19)17-27-21-16-20(12-13-22(21)32-18-24(27)29)33(30,31)26-14-8-4-5-9-15-26/h12-13,16,19H,1-11,14-15,17-18H2,(H,25,28)

InChI Key

KZZQOCANHIPBFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

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

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.00

Polar Surface Area

80.638

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with E589-3720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3720?
Check Price and Availability of E589-3720, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E589-3720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3720
  • 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 E589-3720 available by request