E002-1481 Screening compound: ethyl 2-[({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

E002-1481 Screening compound: ethyl 2-[({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
E002-1481 Screening compound: ethyl 2-[({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1481
ethyl 2-[({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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

E002-1481

Molecular Formula

C25H29N3O3S2 (C25 H29 N3 O3 S2)

Compound Name

ethyl 2-[({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[({[2-(1H-pyrrol-1-yl)-4567-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(NCc2c(-n3cccc3)sc3c2CCCC3)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C25H29N3O3S2/c1-2-31-24(29)21-17-10-4-6-12-20(17)32-22(21)27-25(30)26-15-18-16-9-3-5-11-19(16)33-23(18)28-13-7-8-14-28/h7-8,13-14H,2-6,9-12,15H2,1H3,(H2,26,27,30)

InChI Key

FBJCBKDDGKAOQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.165

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.36

Polar Surface Area

59.308

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

E002-1481 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

References: we are preparing a list of scientific research reports with E002-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1481?
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What is the minimum amount of E002-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1481
  • 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 E002-1481 available by request