5055-6985 Screening compound: 7-ethyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

5055-6985 Screening compound: 7-ethyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
5055-6985 Screening compound: 7-ethyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6985
7-ethyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[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

5055-6985

Molecular Formula

C18H25N3S (C18 H25 N3 S)

Compound Name

7-ethyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

11-ethyl-3-(4-methylpiperidin-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCC(CC1)Cc2c1c1c(N3CCC(C)CC3)ncnc1s2

InChI

InChI=1S/C18H25N3S/c1-3-13-4-5-14-15(10-13)22-18-16(14)17(19-11-20-18)21-8-6-12(2)7-9-21/h11-13H,3-10H2,1-2H3/t13-/m1/s1

InChI Key

MKEYDNJPUKCPJA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02654426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-5.84

Polar Surface Area

24.459

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

5055-6985 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 5055-6985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6985?
Check Price and Availability of 5055-6985, 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 5055-6985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6985
  • 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 5055-6985 available by request