V002-1793 Screening compound: {3-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(2-thienyl)methanone

V002-1793 Screening compound: {3-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(2-thienyl)methanone
V002-1793 Screening compound: {3-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1793
{3-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(2-thienyl)methanone

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

V002-1793

Molecular Formula

C16H13ClN4O2S2 (C16 H13 ClN4 O2 S2)

Compound Name

{3-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(2-thienyl)methanone

IUPAC name

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

SMILES

O=C(c1cccs1)N(CCS1)n2c1nnc2COc(cc1)ccc1Cl

InChI

InChI=1S/C16H13ClN4O2S2/c17-11-3-5-12(6-4-11)23-10-14-18-19-16-21(14)20(7-9-25-16)15(22)13-2-1-8-24-13/h1-6,8H,7,9-10H2

InChI Key

MJMSSXRZLOGEBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938987

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.36

Polar Surface Area

49.483

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with V002-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1793?
Check Price and Availability of V002-1793, 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 V002-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1793
  • 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 V002-1793 available by request