8755-0197 Screening compound: ethyl 2-(4-nitrobenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8755-0197 Screening compound: ethyl 2-(4-nitrobenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8755-0197 Screening compound: ethyl 2-(4-nitrobenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0197
ethyl 2-(4-nitrobenzenesulfonamido)-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

8755-0197

Molecular Formula

C17H18N2O6S2 (C17 H18 N2 O6 S2)

Compound Name

ethyl 2-(4-nitrobenzenesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(4-nitrobenzenesulfonamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c1-2-25-17(20)15-13-5-3-4-6-14(13)26-16(15)18-27(23,24)12-9-7-11(8-10-12)19(21)22/h7-10,18H,2-6H2,1H3

InChI Key

ISEHDJOJUJWUIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00294955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

-3.244

Water Solubility, LogSw

-4.22

Polar Surface Area

94.738

Acid Dissociation Constant (pKa)

0.25

Base Dissociation Constant (pKb)

-14.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8755-0197 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8755-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0197?
Check Price and Availability of 8755-0197, 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 8755-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0197
  • 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 8755-0197 available by request