7265-2666 Screening compound: ethyl 4-(ethylamino)-3-[(thieno[3,2-b][1]benzothiophen-2-ylcarbonyl)amino]benzoate

7265-2666 Screening compound: ethyl 4-(ethylamino)-3-[(thieno[3,2-b][1]benzothiophen-2-ylcarbonyl)amino]benzoate
7265-2666 Screening compound: ethyl 4-(ethylamino)-3-[(thieno[3,2-b][1]benzothiophen-2-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7265-2666
ethyl 4-(ethylamino)-3-[(thieno[3,2-b][1]benzothiophen-2-ylcarbonyl)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

7265-2666

Molecular Formula

C22H20N2O3S2 (C22 H20 N2 O3 S2)

Compound Name

ethyl 4-(ethylamino)-3-[(thieno[3,2-b][1]benzothiophen-2-ylcarbonyl)amino]benzoate

IUPAC name

ethyl 3-{37-dithiatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)4810-pentaene-4-amido}-4-(ethylamino)benzoate

SMILES

CCNc(ccc(C(OCC)=O)c1)c1NC(c1cc(sc2c3cccc2)c3s1)=O

InChI

InChI=1S/C22H20N2O3S2/c1-3-23-15-10-9-13(22(26)27-4-2)11-16(15)24-21(25)19-12-18-20(29-19)14-7-5-6-8-17(14)28-18/h5-12,23H,3-4H2,1-2H3,(H,24,25)

InChI Key

XQPAZPUBDIEQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03478437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.165

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-5.81

Polar Surface Area

54.313

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7265-2666 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 7265-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7265-2666?
Check Price and Availability of 7265-2666, 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 7265-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7265-2666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7265-2666
  • 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 7265-2666 available by request