0673-0490 Screening compound: ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-3-carboxylate

0673-0490 Screening compound: ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-3-carboxylate
0673-0490 Screening compound: ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0673-0490
ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-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

0673-0490

Molecular Formula

C20H16N2O5S (C20 H16 N2 O5 S)

Compound Name

ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-(3-nitrobenzamido)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc([N+]([O-])=O)ccc2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C20H16N2O5S/c1-2-27-20(24)17-16(13-7-4-3-5-8-13)12-28-19(17)21-18(23)14-9-6-10-15(11-14)22(25)26/h3-12H,2H2,1H3,(H,21,23)

InChI Key

OUPDIHWFPVJFFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00352614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-4.44

Polar Surface Area

76.988

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-11.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 0673-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0673-0490?
Check Price and Availability of 0673-0490, 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 0673-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0673-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0673-0490
  • 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 0673-0490 available by request