2425-4457 Screening compound: methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2425-4457 Screening compound: methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2425-4457 Screening compound: methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2425-4457
methyl 2-(2-nitrobenzamido)-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

2425-4457

Molecular Formula

C17H16N2O5S (C17 H16 N2 O5 S)

Compound Name

methyl 2-(2-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(2-nitrobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(c(cccc2)c2[N+]([O-])=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)14-11-7-3-5-9-13(11)25-16(14)18-15(20)10-6-2-4-8-12(10)19(22)23/h2,4,6,8H,3,5,7,9H2,1H3,(H,18,20)

InChI Key

COTHJVVAZMHQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

-2.639

Water Solubility, LogSw

-4.19

Polar Surface Area

77.299

Acid Dissociation Constant (pKa)

1.32

Base Dissociation Constant (pKb)

-7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 2425-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2425-4457?
Check Price and Availability of 2425-4457, 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 2425-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2425-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2425-4457
  • 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 2425-4457 available by request