D731-0612 Screening compound: 6-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-3-(4-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

D731-0612 Screening compound: 6-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-3-(4-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
D731-0612 Screening compound: 6-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-3-(4-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0612
6-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-3-(4-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

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

D731-0612

Molecular Formula

C17H13N5O2S (C17 H13 N5 O2 S)

Compound Name

6-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-3-(4-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

IUPAC name

n/a

SMILES

C1COc(cc(cc2)-c(s3)nn4c3nnc4-c3ccncc3)c2OC1

InChI

InChI=1S/C17H13N5O2S/c1-8-23-13-3-2-12(10-14(13)24-9-1)16-21-22-15(19-20-17(22)25-16)11-4-6-18-7-5-11/h2-7,10H,1,8-9H2

InChI Key

TZRABQIMBXULOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.22

Polar Surface Area

59.304

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D731-0612 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0612?
Check Price and Availability of D731-0612, 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 D731-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0612
  • 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 D731-0612 available by request