4852-0614 Screening compound: 4-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4852-0614 Screening compound: 4-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4852-0614 Screening compound: 4-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0614
4-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-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

4852-0614

Molecular Formula

C22H25ClN4OS (C22 H25 ClN4 OS)

Compound Name

4-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

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

SMILES

Clc(cc1)ccc1OCCN(CC1)CCN1c1ncnc2c1c(CCCC1)c1s2

InChI

InChI=1S/C22H25ClN4OS/c23-16-5-7-17(8-6-16)28-14-13-26-9-11-27(12-10-26)21-20-18-3-1-2-4-19(18)29-22(20)25-15-24-21/h5-8,15H,1-4,9-14H2

InChI Key

RKCRTIJYMQXJHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-6.15

Polar Surface Area

35.396

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4852-0614 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4852-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0614?
Check Price and Availability of 4852-0614, 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 4852-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0614
  • 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 4852-0614 available by request