D243-0540 Screening compound: 7-(tert-butyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

D243-0540 Screening compound: 7-(tert-butyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
D243-0540 Screening compound: 7-(tert-butyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0540
7-(tert-butyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

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

D243-0540

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

7-(tert-butyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one

IUPAC name

11-tert-butyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(CC(c1cc(OC)ccc1)=O)N=N1)=O)c1s2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)14-8-9-16-18(11-14)29-20-19(16)21(27)25(24-23-20)12-17(26)13-6-5-7-15(10-13)28-4/h5-7,10,14H,8-9,11-12H2,1-4H3/t14-/m1/s1

InChI Key

FCUFWZOASAHJNQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08143475

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

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.47

Polar Surface Area

61.546

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D243-0540 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 D243-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0540?
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What is the minimum amount of D243-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0540
  • 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 D243-0540 available by request