D243-0170 Screening compound: butyl 2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetate

D243-0170 Screening compound: butyl 2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetate
D243-0170 Screening compound: butyl 2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0170
butyl 2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetate

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

D243-0170

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

butyl 2-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d][1,2,3]triazin-3-yl}acetate

IUPAC name

butyl 2-{4-oxo-6-phenyl-3H4H-thieno[23-d][123]triazin-3-yl}acetate

SMILES

CCCCOC(CN1N=Nc(sc(-c2ccccc2)c2)c2C1=O)=O

InChI

InChI=1S/C17H17N3O3S/c1-2-3-9-23-15(21)11-20-17(22)13-10-14(24-16(13)18-19-20)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3

InChI Key

ZZVQGTCYFFGGQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06638832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-3.86

Polar Surface Area

61.288

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D243-0170 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D243-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0170?
Check Price and Availability of D243-0170, 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 D243-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0170
  • 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 D243-0170 available by request