E649-1860 Screening compound: ethyl 3-(acetylamino)-1-(2-pyridylmethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

E649-1860 Screening compound: ethyl 3-(acetylamino)-1-(2-pyridylmethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
E649-1860 Screening compound: ethyl 3-(acetylamino)-1-(2-pyridylmethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1860
ethyl 3-(acetylamino)-1-(2-pyridylmethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-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

E649-1860

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

ethyl 3-(acetylamino)-1-(2-pyridylmethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

IUPAC name

ethyl 3-acetamido-5-[(pyridin-2-yl)methyl]-7-thia-5-azatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)3-triene-4-carboxylate

SMILES

CCOC(c(n(Cc1ncccc1)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-3-27-21(26)19-18(23-13(2)25)17-15-9-4-5-10-16(15)28-20(17)24(19)12-14-8-6-7-11-22-14/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,23,25)

InChI Key

CQNXDBFRNSSGSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-2.89

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E649-1860 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with E649-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1860?
Check Price and Availability of E649-1860, 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 E649-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1860
  • 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 E649-1860 available by request