8755-0235 Screening compound: ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8755-0235 Screening compound: ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8755-0235 Screening compound: ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0235
ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

8755-0235

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{[(4-nitrophenyl)methyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NCc(cc2)ccc2[N+]([O-])=O)sc2c1CCCC2)=O

InChI

InChI=1S/C18H20N2O4S/c1-2-24-18(21)16-14-5-3-4-6-15(14)25-17(16)19-11-12-7-9-13(10-8-12)20(22)23/h7-10,19H,2-6,11H2,1H3

InChI Key

CSNLFAHYFMULNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.39

Polar Surface Area

64.323

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8755-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0235?
Check Price and Availability of 8755-0235, 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 8755-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0235
  • 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 8755-0235 available by request