V026-7931 Screening compound: 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

V026-7931 Screening compound: 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one
V026-7931 Screening compound: 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7931
2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-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

V026-7931

Molecular Formula

C16H13ClN4O3S (C16 H13 ClN4 O3 S)

Compound Name

2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

IUPAC name

2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5H6H7H-[124]triazolo[34-b][134]thiadiazin-5-yl]ethan-1-one

SMILES

O=C(COc(cc1)ccc1Cl)N(CCS1)n2c1nnc2-c1ccco1

InChI

InChI=1S/C16H13ClN4O3S/c17-11-3-5-12(6-4-11)24-10-14(22)20-7-9-25-16-19-18-15(21(16)20)13-2-1-8-23-13/h1-6,8H,7,9-10H2

InChI Key

JEUWLHQLEXIVCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13251993

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

376.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.75

Polar Surface Area

55.540

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

V026-7931 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-7931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7931?
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What is the minimum amount of V026-7931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7931
  • 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 V026-7931 available by request