8020-1627 Screening compound: 3-(2-furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8020-1627 Screening compound: 3-(2-furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8020-1627 Screening compound: 3-(2-furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1627
3-(2-furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

8020-1627

Molecular Formula

C15H12N4O2S (C15 H12 N4 O2 S)

Compound Name

3-(2-furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-(furan-2-yl)-6-(4-methoxyphenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(cc1)ccc1C(CS1)=Nn2c1nnc2-c1ccco1

InChI

InChI=1S/C15H12N4O2S/c1-20-11-6-4-10(5-7-11)12-9-22-15-17-16-14(19(15)18-12)13-3-2-8-21-13/h2-8H,9H2,1H3

InChI Key

IPWBBJIHIFSEKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02186968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.16

Polar Surface Area

50.080

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8020-1627 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-1627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1627?
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What is the minimum amount of 8020-1627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1627
  • 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 8020-1627 available by request