6405-0065 Screening compound: 2-allyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate

6405-0065 Screening compound: 2-allyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate
6405-0065 Screening compound: 2-allyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0065
2-allyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)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

6405-0065

Molecular Formula

C24H20N2O7S (C24 H20 N2 O7 S)

Compound Name

2-allyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(2,5-dioxo-1-pyrrolidinyl)acetate

IUPAC name

3-benzoyl-11-dioxo-2-(prop-2-en-1-yl)-2H-1lambda62-benzothiazin-4-yl 2-(25-dioxopyrrolidin-1-yl)acetate

SMILES

C=CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(CN(C(CC1)=O)C1=O)=O)S2(=O)=O

InChI

InChI=1S/C24H20N2O7S/c1-2-14-26-22(23(30)16-8-4-3-5-9-16)24(17-10-6-7-11-18(17)34(26,31)32)33-21(29)15-25-19(27)12-13-20(25)28/h2-11H,1,12-15H2

InChI Key

CUCNYPGTMCNUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04030035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.84

Polar Surface Area

95.841

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

-9.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 6405-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0065?
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What is the minimum amount of 6405-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0065
  • 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 6405-0065 available by request