E511-1435 Screening compound: methyl 4-{3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

E511-1435 Screening compound: methyl 4-{3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate
E511-1435 Screening compound: methyl 4-{3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-1435
methyl 4-{3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

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

E511-1435

Molecular Formula

C20H20N2O6S2 (C20 H20 N2 O6 S2)

Compound Name

methyl 4-{3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

IUPAC name

methyl 4-{3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

SMILES

CC1Sc(ccc(S(CCC(Nc(cc2)ccc2C(OC)=O)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C20H20N2O6S2/c1-12-19(24)22-16-11-15(7-8-17(16)29-12)30(26,27)10-9-18(23)21-14-5-3-13(4-6-14)20(25)28-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1

InChI Key

NXDQSKXGRIETPF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14892862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.95

Polar Surface Area

98.204

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E511-1435 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

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 E511-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-1435?
Check Price and Availability of E511-1435, 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 E511-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-1435
  • 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 E511-1435 available by request