E245-0657 Screening compound: 7-[(4-benzylpiperidino)sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one

E245-0657 Screening compound: 7-[(4-benzylpiperidino)sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
E245-0657 Screening compound: 7-[(4-benzylpiperidino)sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0657
7-[(4-benzylpiperidino)sulfonyl]-6-chloro-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

E245-0657

Molecular Formula

C20H21ClN2O4S (C20 H21 ClN2 O4 S)

Compound Name

7-[(4-benzylpiperidino)sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

n/a

SMILES

O=C(COc1c2)Nc1cc(Cl)c2S(N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C20H21ClN2O4S/c21-16-11-17-18(27-13-20(24)22-17)12-19(16)28(25,26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2,(H,22,24)

InChI Key

ZPODCKKDWLNRTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.16

Polar Surface Area

64.948

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with E245-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0657?
Check Price and Availability of E245-0657, 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 E245-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0657
  • 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 E245-0657 available by request