D243-0242 Screening compound: 7-(tert-butyl)-3-(2-oxo-2-piperidinoethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

D243-0242 Screening compound: 7-(tert-butyl)-3-(2-oxo-2-piperidinoethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
D243-0242 Screening compound: 7-(tert-butyl)-3-(2-oxo-2-piperidinoethyl)-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 D243-0242
7-(tert-butyl)-3-(2-oxo-2-piperidinoethyl)-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

D243-0242

Molecular Formula

C20H28N4O2S (C20 H28 N4 O2 S)

Compound Name

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

IUPAC name

11-tert-butyl-4-[2-oxo-2-(piperidin-1-yl)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(CC(N1CCCCC1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C20H28N4O2S/c1-20(2,3)13-7-8-14-15(11-13)27-18-17(14)19(26)24(22-21-18)12-16(25)23-9-5-4-6-10-23/h13H,4-12H2,1-3H3/t13-/m1/s1

InChI Key

PREVRVLLKYIWER-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05743630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.08

Polar Surface Area

57.148

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

D243-0242 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D243-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0242?
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What is the minimum amount of D243-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0242
  • 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 D243-0242 available by request