8020-0494 Screening compound: methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

8020-0494 Screening compound: methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
8020-0494 Screening compound: methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0494
methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H,5H,6H-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

8020-0494

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-({[(pyridin-3-yl)methyl]carbamoyl}formamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(C(NCc2cnccc2)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C17H17N3O4S/c1-24-17(23)13-11-5-2-6-12(11)25-16(13)20-15(22)14(21)19-9-10-4-3-7-18-8-10/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21)(H,20,22)

InChI Key

KLWCVCVEYYGAOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.283

Distribution Coefficient, logD

-5.178

Water Solubility, LogSw

-1.60

Polar Surface Area

78.787

Acid Dissociation Constant (pKa)

0.94

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8020-0494 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0494?
Check Price and Availability of 8020-0494, 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 8020-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0494
  • 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 8020-0494 available by request