4092-0639 Screening compound: 1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

4092-0639 Screening compound: 1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine
4092-0639 Screening compound: 1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0639
1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}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

4092-0639

Molecular Formula

C17H17F3N2OS (C17 H17 F3 N2 OS)

Compound Name

1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

IUPAC name

1-(thiophene-2-carbonyl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

SMILES

O=C(c1cccs1)N1CCN(Cc2c(C(F)(F)F)cccc2)CC1

InChI

InChI=1S/C17H17F3N2OS/c18-17(19,20)14-5-2-1-4-13(14)12-21-7-9-22(10-8-21)16(23)15-6-3-11-24-15/h1-6,11H,7-10,12H2

InChI Key

WAKQUWSNQCSPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214428

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

354.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.66

Polar Surface Area

21.446

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

4092-0639 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4092-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0639?
Check Price and Availability of 4092-0639, 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 4092-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0639
  • 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 4092-0639 available by request