V028-4275 Screening compound: 3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

V028-4275 Screening compound: 3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
V028-4275 Screening compound: 3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4275
3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H,6H,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

V028-4275

Molecular Formula

C17H16N4O3S2 (C17 H16 N4 O3 S2)

Compound Name

3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-[(4-methoxyphenoxy)methyl]-5-(thiophene-2-carbonyl)-5H6H7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(cc1)ccc1OCc1nnc2SCCN(C(c3cccs3)=O)n12

InChI

InChI=1S/C17H16N4O3S2/c1-23-12-4-6-13(7-5-12)24-11-15-18-19-17-21(15)20(8-10-26-17)16(22)14-3-2-9-25-14/h2-7,9H,8,10-11H2,1H3

InChI Key

UXSJJMKYGIUXCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14282419

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.43

Polar Surface Area

57.027

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

V028-4275 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 V028-4275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4275?
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What is the minimum amount of V028-4275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4275
  • 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 V028-4275 available by request