6405-0107 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide

6405-0107 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
6405-0107 Screening compound: N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0107
N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide

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

6405-0107

Molecular Formula

C30H27N3O6S (C30 H27 N3 O6 S)

Compound Name

N~1~-(3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide

IUPAC name

N-(3-benzoyl-11-dioxo-2-pentyl-2H-1lambda62-benzothiazin-4-yl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamide

SMILES

CCCCCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(CN(C(c1c3cccc1)=O)C3=O)=O)S2(=O)=O

InChI

InChI=1S/C30H27N3O6S/c1-2-3-11-18-33-27(28(35)20-12-5-4-6-13-20)26(23-16-9-10-17-24(23)40(33,38)39)31-25(34)19-32-29(36)21-14-7-8-15-22(21)30(32)37/h4-10,12-17H,2-3,11,18-19H2,1H3,(H,31,34)

InChI Key

BBHGXTPTFMBIBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-4.47

Polar Surface Area

97.990

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6405-0107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6405-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0107?
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What is the minimum amount of 6405-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0107
  • 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 6405-0107 available by request