C066-1845 Screening compound: 2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[3,2-c]chromen-4-one

C066-1845 Screening compound: 2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[3,2-c]chromen-4-one
C066-1845 Screening compound: 2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1845
2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[3,2-c]chromen-4-one

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

C066-1845

Molecular Formula

C23H17F3N2O3S (C23 H17 F3 N2 O3 S)

Compound Name

2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[3,2-c]chromen-4-one

IUPAC name

2-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-4H-thieno[32-c]chromen-4-one

SMILES

O=C(c1cc(C(Oc2c-3cccc2)=O)c3s1)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H17F3N2O3S/c24-23(25,26)14-4-3-5-15(12-14)27-8-10-28(11-9-27)21(29)19-13-17-20(32-19)16-6-1-2-7-18(16)31-22(17)30/h1-7,12-13H,8-11H2

InChI Key

GEBQHMTYKKSIBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.94

Polar Surface Area

41.816

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C066-1845 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-1845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1845?
Check Price and Availability of C066-1845, 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 C066-1845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1845
  • 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 C066-1845 available by request