D243-0018 Screening compound: methyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

D243-0018 Screening compound: methyl 2-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate
D243-0018 Screening compound: methyl 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 D243-0018
methyl 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

D243-0018

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

methyl 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

methyl 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

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

InChI

InChI=1S/C19H18N4O4S/c1-27-19(26)11-6-2-4-8-13(11)20-15(24)10-23-18(25)16-12-7-3-5-9-14(12)28-17(16)21-22-23/h2,4,6,8H,3,5,7,9-10H2,1H3,(H,20,24)

InChI Key

PHXIPBSHPLRTKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06638684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.65

Polar Surface Area

84.381

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D243-0018 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D243-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0018?
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What is the minimum amount of D243-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0018
  • 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 D243-0018 available by request