8007-6025 Screening compound: 1,1,3,3-tetraoxo-N~2~,5-diphenyl-1lambda~6~,3lambda~6~-dithiane-2-carboxamide

8007-6025 Screening compound: 1,1,3,3-tetraoxo-N~2~,5-diphenyl-1lambda~6~,3lambda~6~-dithiane-2-carboxamide
8007-6025 Screening compound: 1,1,3,3-tetraoxo-N~2~,5-diphenyl-1lambda~6~,3lambda~6~-dithiane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6025
1,1,3,3-tetraoxo-N~2~,5-diphenyl-1lambda~6~,3lambda~6~-dithiane-2-carboxamide

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

8007-6025

Molecular Formula

C17H17NO5S2 (C17 H17 NO5 S2)

Compound Name

1,1,3,3-tetraoxo-N~2~,5-diphenyl-1lambda~6~,3lambda~6~-dithiane-2-carboxamide

IUPAC name

1133-tetraoxo-N5-diphenyl-1lambda63lambda6-dithiane-2-carboxamide

SMILES

O=C(C(S(CC(C1)c2ccccc2)(=O)=O)S1(=O)=O)Nc1ccccc1

InChI

InChI=1S/C17H17NO5S2/c19-16(18-15-9-5-2-6-10-15)17-24(20,21)11-14(12-25(17,22)23)13-7-3-1-4-8-13/h1-10,14,17H,11-12H2,(H,18,19)

InChI Key

SVRMNNZKWXTWAF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

-2.022

Water Solubility, LogSw

-2.43

Polar Surface Area

80.302

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8007-6025 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 8007-6025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6025?
Check Price and Availability of 8007-6025, 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 8007-6025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6025
  • 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 8007-6025 available by request