E002-1588 Screening compound: ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

E002-1588 Screening compound: ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
E002-1588 Screening compound: ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1588
ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)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

E002-1588

Molecular Formula

C22H33N3O4S (C22 H33 N3 O4 S)

Compound Name

ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{[(1-acetylpiperidin-4-yl)(propan-2-yl)carbamoyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(N(C(C)C)C(CC2)CCN2C(C)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C22H33N3O4S/c1-5-29-21(27)19-17-8-6-7-9-18(17)30-20(19)23-22(28)25(14(2)3)16-10-12-24(13-11-16)15(4)26/h14,16H,5-13H2,1-4H3,(H,23,28)

InChI Key

QBINEESOWDANHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-4.02

Polar Surface Area

62.031

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

E002-1588 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E002-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1588?
Check Price and Availability of E002-1588, 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 E002-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1588
  • 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 E002-1588 available by request