E734-1847 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E734-1847 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E734-1847 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1847
4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

E734-1847

Molecular Formula

C21H29N3O5S (C21 H29 N3 O5 S)

Compound Name

4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

O=C(CN1c(cc(cc2)S(NC3CCCC3)(=O)=O)c2OCC1=O)N1CCCCCC1

InChI

InChI=1S/C21H29N3O5S/c25-20(23-11-5-1-2-6-12-23)14-24-18-13-17(9-10-19(18)29-15-21(24)26)30(27,28)22-16-7-3-4-8-16/h9-10,13,16,22H,1-8,11-12,14-15H2

InChI Key

UWMSCFBKKSPRSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.54

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

2.377

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-2.95

Polar Surface Area

82.855

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with E734-1847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1847?
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What is the minimum amount of E734-1847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1847
  • 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 E734-1847 available by request