E589-3793 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

E589-3793 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
E589-3793 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3793
6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-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

E589-3793

Molecular Formula

C23H34N4O5S (C23 H34 N4 O5 S)

Compound Name

6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCCN(CC1)CCN1C(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C23H34N4O5S/c1-2-9-24-12-14-25(15-13-24)22(28)17-27-20-16-19(7-8-21(20)32-18-23(27)29)33(30,31)26-10-5-3-4-6-11-26/h7-8,16H,2-6,9-15,17-18H2,1H3

InChI Key

CXXUINBUGCUYHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.63

Polar Surface Area

76.293

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

E589-3793 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E589-3793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3793?
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What is the minimum amount of E589-3793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3793
  • 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 E589-3793 available by request