C534-0740 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C534-0740 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C534-0740 Screening compound: 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0740
6-(azepane-1-sulfonyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-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

C534-0740

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

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

IUPAC name

6-(azepane-1-sulfonyl)-4-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H29N3O5S/c29-24(26-14-11-19-7-3-4-8-20(19)16-26)17-28-22-15-21(9-10-23(22)33-18-25(28)30)34(31,32)27-12-5-1-2-6-13-27/h3-4,7-10,15H,1-2,5-6,11-14,16-18H2

InChI Key

RDLRMHWXMLSSMJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.53

Polar Surface Area

72.165

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C534-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0740?
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What is the minimum amount of C534-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0740
  • 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 C534-0740 available by request