E734-1084 Screening compound: METHYL 2-[6-(1-AZEPANYLSULFONYL)-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ACETATE

E734-1084 Screening compound: METHYL 2-[6-(1-AZEPANYLSULFONYL)-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ACETATE
E734-1084 Screening compound: METHYL 2-[6-(1-AZEPANYLSULFONYL)-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1084
METHYL 2-[6-(1-AZEPANYLSULFONYL)-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ACETATE

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

E734-1084

Molecular Formula

C17H22N2O6S (C17 H22 N2 O6 S)

Compound Name

METHYL 2-[6-(1-AZEPANYLSULFONYL)-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ACETATE

IUPAC name

n/a

SMILES

COC(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C17H22N2O6S/c1-24-17(21)11-19-14-10-13(6-7-15(14)25-12-16(19)20)26(22,23)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3

InChI Key

FWGAINLUFYQPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-2.55

Polar Surface Area

76.961

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E734-1084 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E734-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1084?
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What is the minimum amount of E734-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1084
  • 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 E734-1084 available by request