D243-0357 Screening compound: isopropyl 3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate

D243-0357 Screening compound: isopropyl 3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetyl}amino)benzoate
D243-0357 Screening compound: isopropyl 3-({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 D243-0357
isopropyl 3-({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

D243-0357

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

isopropyl 3-({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

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

SMILES

CC(C)OC(c1cccc(NC(CN2N=Nc(sc3c4CCCC3)c4C2=O)=O)c1)=O

InChI

InChI=1S/C21H22N4O4S/c1-12(2)29-21(28)13-6-5-7-14(10-13)22-17(26)11-25-20(27)18-15-8-3-4-9-16(15)30-19(18)23-24-25/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,22,26)

InChI Key

MBZGZALRVSWBJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

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

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.40

Polar Surface Area

84.338

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D243-0357 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D243-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0357?
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What is the minimum amount of D243-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0357
  • 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 D243-0357 available by request