D243-0265 Screening compound: methyl 3-{[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]methyl}benzoate

D243-0265 Screening compound: methyl 3-{[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]methyl}benzoate
D243-0265 Screening compound: methyl 3-{[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0265
methyl 3-{[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]methyl}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

D243-0265

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(Cc1cc(C(OC)=O)ccc1)N=N1)=O)c1s2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)15-8-9-16-17(11-15)29-19-18(16)20(26)25(24-23-19)12-13-6-5-7-14(10-13)21(27)28-4/h5-7,10,15H,8-9,11-12H2,1-4H3/t15-/m1/s1

InChI Key

LZALWEZEWNBUEI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08143388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.56

Polar Surface Area

61.929

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D243-0265 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D243-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0265?
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What is the minimum amount of D243-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0265
  • 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 D243-0265 available by request