K891-0057 Screening compound: PROPYL 3-AMINO-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXYLATE

K891-0057 Screening compound: PROPYL 3-AMINO-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXYLATE
K891-0057 Screening compound: PROPYL 3-AMINO-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0057
PROPYL 3-AMINO-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]THIENO[3,2-E]PYRIDINE-2-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

K891-0057

Molecular Formula

C18H18N2O2S2 (C18 H18 N2 O2 S2)

Compound Name

PROPYL 3-AMINO-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXYLATE

IUPAC name

n/a

SMILES

CCCOC(c(sc1nc(CCC2)c2c(-c2cccs2)c11)c1N)=O

InChI

InChI=1S/C18H18N2O2S2/c1-2-8-22-18(21)16-15(19)14-13(12-7-4-9-23-12)10-5-3-6-11(10)20-17(14)24-16/h4,7,9H,2-3,5-6,8,19H2,1H3

InChI Key

APVUUDBYBYXLMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.07

Polar Surface Area

52.927

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K891-0057 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K891-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0057?
Check Price and Availability of K891-0057, 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 K891-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0057
  • 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 K891-0057 available by request