D727-0673 Screening compound: 1,3-benzodioxol-5-yl {[6-(2-pyridyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methyl} ether

D727-0673 Screening compound: 1,3-benzodioxol-5-yl {[6-(2-pyridyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methyl} ether
D727-0673 Screening compound: 1,3-benzodioxol-5-yl {[6-(2-pyridyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0673
1,3-benzodioxol-5-yl {[6-(2-pyridyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methyl} ether

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

D727-0673

Molecular Formula

C17H12N4O3S (C17 H12 N4 O3 S)

Compound Name

1,3-benzodioxol-5-yl {[6-(2-pyridyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methyl} ether

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yloxy)methyl]-[124]triazolo[34-b][13]thiazol-6-yl}pyridine

SMILES

C(c1nnc2sc(-c3ncccc3)cn12)Oc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H12N4O3S/c1-2-6-18-12(3-1)15-8-21-16(19-20-17(21)25-15)9-22-11-4-5-13-14(7-11)24-10-23-13/h1-8H,9-10H2

InChI Key

NULFBXNLWOXYPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.43

Polar Surface Area

57.062

Acid Dissociation Constant (pKa)

30.88

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

D727-0673 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 D727-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0673?
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What is the minimum amount of D727-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0673
  • 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 D727-0673 available by request