C270-0585 Screening compound: ethyl 2-[({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C270-0585 Screening compound: ethyl 2-[({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C270-0585 Screening compound: ethyl 2-[({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0585
ethyl 2-[({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}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

C270-0585

Molecular Formula

C25H34N4O4S (C25 H34 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(NCCN(CC2)CCN2c(cc2)ccc2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C25H34N4O4S/c1-3-33-24(30)22-20-6-4-5-7-21(20)34-23(22)27-25(31)26-12-13-28-14-16-29(17-15-28)18-8-10-19(32-2)11-9-18/h8-11H,3-7,12-17H2,1-2H3,(H2,26,27,31)

InChI Key

KFRYPXWGSFHYLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.20

Polar Surface Area

68.960

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

C270-0585 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C270-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0585?
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What is the minimum amount of C270-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0585
  • 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 C270-0585 available by request