D243-0161 Screening compound: 2-phenoxyethyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

D243-0161 Screening compound: 2-phenoxyethyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate
D243-0161 Screening compound: 2-phenoxyethyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0161
2-phenoxyethyl 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetate

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

D243-0161

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(CC(OCCOc1ccccc1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)15-9-10-17-18(13-15)31-21-20(17)22(28)26(25-24-21)14-19(27)30-12-11-29-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3/t15-/m1/s1

InChI Key

JKLCVIQHFZMIMG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06638823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.69

Polar Surface Area

68.626

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

D243-0161 in Drug Discovery

Included in Screening Libraries

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 D243-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0161?
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What is the minimum amount of D243-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0161
  • 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 D243-0161 available by request