D243-0074 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(2-ethoxyphenyl)acetamide

D243-0074 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(2-ethoxyphenyl)acetamide
D243-0074 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0074
2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(2-ethoxyphenyl)acetamide

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

D243-0074

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(2-ethoxyphenyl)acetamide

IUPAC name

2-{11-tert-butyl-3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}-N-(2-ethoxyphenyl)acetamide

SMILES

CCOc(cccc1)c1NC(CN1N=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O)=O

InChI

InChI=1S/C23H28N4O3S/c1-5-30-17-9-7-6-8-16(17)24-19(28)13-27-22(29)20-15-11-10-14(23(2,3)4)12-18(15)31-21(20)25-26-27/h6-9,14H,5,10-13H2,1-4H3,(H,24,28)/t14-/m1/s1

InChI Key

MAEATQADVIKMSJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06638739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.16

Polar Surface Area

70.417

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

D243-0074 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 D243-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0074?
Check Price and Availability of D243-0074, 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 D243-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0074
  • 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 D243-0074 available by request