E722-2534 Screening compound: ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-ylcarbonyl)amino]benzoate

E722-2534 Screening compound: ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-ylcarbonyl)amino]benzoate
E722-2534 Screening compound: ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2534
ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-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

E722-2534

Molecular Formula

C21H21NO3S2 (C21 H21 NO3 S2)

Compound Name

ethyl 4-[(6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-ylcarbonyl)amino]benzoate

IUPAC name

ethyl 4-{48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(SC1)=Cc2c1c(CCCC1)c1s2)=O)=O

InChI

InChI=1S/C21H21NO3S2/c1-2-25-21(24)13-7-9-14(10-8-13)22-20(23)19-11-18-16(12-26-19)15-5-3-4-6-17(15)27-18/h7-11H,2-6,12H2,1H3,(H,22,23)

InChI Key

SZGWOSRMRZOCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.37

Polar Surface Area

44.943

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E722-2534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2534?
Check Price and Availability of E722-2534, 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 E722-2534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2534
  • 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 E722-2534 available by request