L239-0129 Screening compound: 2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

L239-0129 Screening compound: 2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
L239-0129 Screening compound: 2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L239-0129
2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-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

L239-0129

Molecular Formula

C25H26F3N5O2 (C25 H26 F3 N5 O2)

Compound Name

2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(Cn1nc(C(N2CCCC2)=O)c2c1cccc2)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H26F3N5O2/c26-25(27,28)18-6-5-7-19(16-18)30-12-14-31(15-13-30)22(34)17-33-21-9-2-1-8-20(21)23(29-33)24(35)32-10-3-4-11-32/h1-2,5-9,16H,3-4,10-15,17H2

InChI Key

HMELNNRVHJPTFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.26

Polar Surface Area

50.884

Acid Dissociation Constant (pKa)

24.87

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L239-0129 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 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 L239-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L239-0129?
Check Price and Availability of L239-0129, 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 L239-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L239-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L239-0129
  • 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 L239-0129 available by request