D243-0085 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(3-chloro-2-methylphenyl)acetamide

D243-0085 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(3-chloro-2-methylphenyl)acetamide
D243-0085 Screening compound: 2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0085
2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(3-chloro-2-methylphenyl)acetamide

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

D243-0085

Molecular Formula

C22H25ClN4O2S (C22 H25 ClN4 O2 S)

Compound Name

2-[7-(tert-butyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]-N~1~-(3-chloro-2-methylphenyl)acetamide

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(CC(Nc1cccc(Cl)c1C)=O)N=N1)=O)c1s2

InChI

InChI=1S/C22H25ClN4O2S/c1-12-15(23)6-5-7-16(12)24-18(28)11-27-21(29)19-14-9-8-13(22(2,3)4)10-17(14)30-20(19)25-26-27/h5-7,13H,8-11H2,1-4H3,(H,24,28)/t13-/m1/s1

InChI Key

PEDOGNHRTWKZKI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06638750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-6.13

Polar Surface Area

63.207

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D243-0085 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 D243-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0085?
Check Price and Availability of D243-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D243-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0085
  • 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 D243-0085 available by request