E245-1623 Screening compound: 6-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one

E245-1623 Screening compound: 6-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
E245-1623 Screening compound: 6-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-1623
6-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-2H-1,4-benzoxazin-3(4H)-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

E245-1623

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

6-{[4-(1-azepanylcarbonyl)piperidino]sulfonyl}-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C20H27N3O5S/c24-19-14-28-18-6-5-16(13-17(18)21-19)29(26,27)23-11-7-15(8-12-23)20(25)22-9-3-1-2-4-10-22/h5-6,13,15H,1-4,7-12,14H2,(H,21,24)

InChI Key

QUJHDKCITLUXDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.687

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-2.73

Polar Surface Area

82.199

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with E245-1623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-1623?
Check Price and Availability of E245-1623, 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 E245-1623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-1623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-1623
  • 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 E245-1623 available by request