V005-5791 Screening compound: ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

V005-5791 Screening compound: ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
V005-5791 Screening compound: ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5791
ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-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

V005-5791

Molecular Formula

C13H15NO5S (C13 H15 NO5 S)

Compound Name

ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-methoxy-2-oxoacetamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(OC)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C13H15NO5S/c1-3-19-12(16)9-7-5-4-6-8(7)20-11(9)14-10(15)13(17)18-2/h3-6H2,1-2H3,(H,14,15)

InChI Key

PPDAXWCYUUYXOH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

-3.862

Water Solubility, LogSw

-2.52

Polar Surface Area

65.610

Acid Dissociation Constant (pKa)

1.44

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

V005-5791 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-5791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5791?
Check Price and Availability of V005-5791, 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 V005-5791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5791
  • 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 V005-5791 available by request