8015-0570 Screening compound: 3-benzoyl-7-nitro-2,3-dihydro-1,3,4-benzothiadiazepin-2-one

8015-0570 Screening compound: 3-benzoyl-7-nitro-2,3-dihydro-1,3,4-benzothiadiazepin-2-one
8015-0570 Screening compound: 3-benzoyl-7-nitro-2,3-dihydro-1,3,4-benzothiadiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0570
3-benzoyl-7-nitro-2,3-dihydro-1,3,4-benzothiadiazepin-2-one

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

8015-0570

Molecular Formula

C15H9N3O4S (C15 H9 N3 O4 S)

Compound Name

3-benzoyl-7-nitro-2,3-dihydro-1,3,4-benzothiadiazepin-2-one

IUPAC name

3-benzoyl-7-nitro-23-dihydro-134-benzothiadiazepin-2-one

SMILES

[O-][N+](c(cc1)cc(C=NN2C(c3ccccc3)=O)c1SC2=O)=O

InChI

InChI=1S/C15H9N3O4S/c19-14(10-4-2-1-3-5-10)17-15(20)23-13-7-6-12(18(21)22)8-11(13)9-16-17/h1-9H

InChI Key

PJWIPVJWGXWOJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.46

Polar Surface Area

73.824

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8015-0570 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8015-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0570?
Check Price and Availability of 8015-0570, 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 8015-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0570
  • 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 8015-0570 available by request