K940-3097 Screening compound: N-(3,5-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide

K940-3097 Screening compound: N-(3,5-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide
K940-3097 Screening compound: N-(3,5-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-3097
N-(3,5-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide

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

K940-3097

Molecular Formula

C23H27F3N4O4 (C23 H27 F3 N4 O4)

Compound Name

N-(3,5-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)piperazin-1-yl]acetamide

SMILES

COc1cc(NC(CN2CCN(CC(Nc3cccc(C(F)(F)F)c3)=O)CC2)=O)cc(OC)c1

InChI

InChI=1S/C23H27F3N4O4/c1-33-19-11-18(12-20(13-19)34-2)28-22(32)15-30-8-6-29(7-9-30)14-21(31)27-17-5-3-4-16(10-17)23(24,25)26/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

CERDVHQPIXTXIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.25

Polar Surface Area

68.898

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K940-3097 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K940-3097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-3097?
Check Price and Availability of K940-3097, 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 K940-3097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-3097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-3097
  • 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 K940-3097 available by request