D243-0353 Screening compound: ethyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

D243-0353 Screening compound: ethyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate
D243-0353 Screening compound: ethyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0353
ethyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

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

D243-0353

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

ethyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 2-(2-{3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN1N=Nc(sc2c3CCCC2)c3C1=O)=O)=O

InChI

InChI=1S/C20H20N4O4S/c1-2-28-20(27)12-7-3-5-9-14(12)21-16(25)11-24-19(26)17-13-8-4-6-10-15(13)29-18(17)22-23-24/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,21,25)

InChI Key

LIXOJFAINHFJCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.14

Polar Surface Area

83.961

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D243-0353 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D243-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0353?
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What is the minimum amount of D243-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0353
  • 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 D243-0353 available by request