E722-3380 Screening compound: methyl 2-{[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)carbonyl]amino}benzoate

E722-3380 Screening compound: methyl 2-{[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)carbonyl]amino}benzoate
E722-3380 Screening compound: methyl 2-{[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-3380
methyl 2-{[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)carbonyl]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

E722-3380

Molecular Formula

C21H21NO3S2 (C21 H21 NO3 S2)

Compound Name

methyl 2-{[(7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)carbonyl]amino}benzoate

IUPAC name

methyl 2-{11-methyl-48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-amido}benzoate

SMILES

CC(CC1)Cc2c1c(CSC(C(Nc(cccc1)c1C(OC)=O)=O)=C1)c1s2

InChI

InChI=1S/C21H21NO3S2/c1-12-7-8-13-15-11-26-19(10-18(15)27-17(13)9-12)20(23)22-16-6-4-3-5-14(16)21(24)25-2/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)/t12-/m1/s1

InChI Key

BKZSJOVDFOBWIY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14912720

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.43

Polar Surface Area

44.665

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E722-3380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-3380?
Check Price and Availability of E722-3380, 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 E722-3380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-3380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-3380
  • 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 E722-3380 available by request