E511-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E511-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E511-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-1317
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

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

E511-1317

Molecular Formula

C20H20N2O6S2 (C20 H20 N2 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CC1Sc(ccc(S(CCC(NCc(cc2)cc3c2OCO3)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C20H20N2O6S2/c1-12-20(24)22-15-9-14(3-5-18(15)29-12)30(25,26)7-6-19(23)21-10-13-2-4-16-17(8-13)28-11-27-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,23)(H,22,24)/t12-/m1/s1

InChI Key

PZSREIULQIQCJY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14892792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-2.82

Polar Surface Area

95.468

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E511-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-1317?
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What is the minimum amount of E511-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-1317
  • 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 E511-1317 available by request