Y040-9447 Screening compound: 1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)piperazine

Y040-9447 Screening compound: 1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)piperazine
Y040-9447 Screening compound: 1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9447
1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)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

Y040-9447

Molecular Formula

C20H18ClN3OS (C20 H18 ClN3 OS)

Compound Name

1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[5-(2-chlorophenyl)thiophene-2-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

O=C(c1ccc(-c(cccc2)c2Cl)s1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C20H18ClN3OS/c21-16-6-2-1-5-15(16)17-8-9-18(26-17)20(25)24-13-11-23(12-14-24)19-7-3-4-10-22-19/h1-10H,11-14H2

InChI Key

ZZPNWDUUQAPTEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13755717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-5.08

Polar Surface Area

29.405

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-9447 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-9447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9447?
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What is the minimum amount of Y040-9447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9447
  • 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 Y040-9447 available by request