3366-3644 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine

3366-3644 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine
3366-3644 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-3644
1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine

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

3366-3644

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine

IUPAC name

1-(3-chloro-1-benzothiophene-2-carbonyl)-4-(2-ethoxyphenyl)piperazine

SMILES

CCOc(cccc1)c1N(CC1)CCN1C(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C21H21ClN2O2S/c1-2-26-17-9-5-4-8-16(17)23-11-13-24(14-12-23)21(25)20-19(22)15-7-3-6-10-18(15)27-20/h3-10H,2,11-14H2,1H3

InChI Key

HZVVEXYKGSTOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.155

Water Solubility, LogSw

-5.41

Polar Surface Area

27.803

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3366-3644 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3366-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-3644?
Check Price and Availability of 3366-3644, 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 3366-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-3644
  • 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 3366-3644 available by request