Y200-2844 Screening compound: 1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine

Y200-2844 Screening compound: 1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine
Y200-2844 Screening compound: 1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-2844
1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine

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

Y200-2844

Molecular Formula

C14H14ClFN2OS (C14 H14 ClFN2 OS)

Compound Name

1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine

IUPAC name

1-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-4-methylpiperazine

SMILES

CN(CC1)CCN1C(c(sc1cccc(F)c11)c1Cl)=O

InChI

InChI=1S/C14H14ClFN2OS/c1-17-5-7-18(8-6-17)14(19)13-12(15)11-9(16)3-2-4-10(11)20-13/h2-4H,5-8H2,1H3

InChI Key

KODRUEHZFQUQCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.62

Polar Surface Area

21.110

Acid Dissociation Constant (pKa)

29.13

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

Y200-2844 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with Y200-2844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-2844?
Check Price and Availability of Y200-2844, 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 Y200-2844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-2844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-2844
  • 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 Y200-2844 available by request