5055-6843 Screening compound: 4-(4-phenylpiperazino)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine

5055-6843 Screening compound: 4-(4-phenylpiperazino)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
5055-6843 Screening compound: 4-(4-phenylpiperazino)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6843
4-(4-phenylpiperazino)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine

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

5055-6843

Molecular Formula

C21H24N4S (C21 H24 N4 S)

Compound Name

4-(4-phenylpiperazino)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine

IUPAC name

3-(4-phenylpiperazin-1-yl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene

SMILES

C(CN(CC1)c2c(c(CCCCC3)c3s3)c3ncn2)N1c1ccccc1

InChI

InChI=1S/C21H24N4S/c1-3-7-16(8-4-1)24-11-13-25(14-12-24)20-19-17-9-5-2-6-10-18(17)26-21(19)23-15-22-20/h1,3-4,7-8,15H,2,5-6,9-14H2

InChI Key

USUIZJSVHZVCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-6.05

Polar Surface Area

28.050

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

5055-6843 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5055-6843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6843?
Check Price and Availability of 5055-6843, 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 5055-6843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6843
  • 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 5055-6843 available by request