D243-0274 Screening compound: 7-(tert-butyl)-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

D243-0274 Screening compound: 7-(tert-butyl)-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
D243-0274 Screening compound: 7-(tert-butyl)-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0274
7-(tert-butyl)-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-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

D243-0274

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

7-(tert-butyl)-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

IUPAC name

11-tert-butyl-4-[2-(4-methoxyphenoxy)ethyl]-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(CCOc(cc1)ccc1OC)N=N1)=O)c1s2

InChI

InChI=1S/C22H27N3O3S/c1-22(2,3)14-5-10-17-18(13-14)29-20-19(17)21(26)25(24-23-20)11-12-28-16-8-6-15(27-4)7-9-16/h6-9,14H,5,10-13H2,1-4H3/t14-/m1/s1

InChI Key

BKCCDJTXHQFWQU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08143389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.51

Polar Surface Area

55.695

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D243-0274 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D243-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0274?
Check Price and Availability of D243-0274, 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 D243-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0274
  • 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 D243-0274 available by request