E649-1873 Screening compound: ethyl 3-(acetylamino)-1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

E649-1873 Screening compound: ethyl 3-(acetylamino)-1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
E649-1873 Screening compound: ethyl 3-(acetylamino)-1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1873
ethyl 3-(acetylamino)-1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-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

E649-1873

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

ethyl 3-(acetylamino)-1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

IUPAC name

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

SMILES

CCOC(c(n(CC(NCc1ccco1)=O)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C22H25N3O5S/c1-3-29-22(28)20-19(24-13(2)26)18-15-8-4-5-9-16(15)31-21(18)25(20)12-17(27)23-11-14-7-6-10-30-14/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

RZSVTNHDMHTDHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-3.07

Polar Surface Area

76.083

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E649-1873 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E649-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1873?
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What is the minimum amount of E649-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1873
  • 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 E649-1873 available by request