D345-0027 Screening compound: 1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

D345-0027 Screening compound: 1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine
D345-0027 Screening compound: 1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0027
1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]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

D345-0027

Molecular Formula

C21H22ClN3OS (C21 H22 ClN3 OS)

Compound Name

1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

Cc(cc1)cc2c1c(Cl)c(C(N1CCN(CCc3ncccc3)CC1)=O)s2

InChI

InChI=1S/C21H22ClN3OS/c1-15-5-6-17-18(14-15)27-20(19(17)22)21(26)25-12-10-24(11-13-25)9-7-16-4-2-3-8-23-16/h2-6,8,14H,7,9-13H2,1H3

InChI Key

YXBQRQUUSYJRSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454470

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

399.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.51

Polar Surface Area

30.695

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D345-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D345-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0027?
Check Price and Availability of D345-0027, 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 D345-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0027
  • 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 D345-0027 available by request