L729-0129 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-PHENYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

L729-0129 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-PHENYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE
L729-0129 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-PHENYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L729-0129
1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-PHENYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

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

L729-0129

Molecular Formula

C21H23F2N5O3S2 (C21 H23 F2 N5 O3 S2)

Compound Name

1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-PHENYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

IUPAC name

n/a

SMILES

Cc(n(C(F)F)nc1)c1S(N(CCC1)C1C(NCCc1csc(-c2ccccc2)n1)=O)(=O)=O

InChI

InChI=1S/C21H23F2N5O3S2/c1-14-18(12-25-28(14)21(22)23)33(30,31)27-11-5-8-17(27)19(29)24-10-9-16-13-32-20(26-16)15-6-3-2-4-7-15/h2-4,6-7,12-13,17,21H,5,8-11H2,1H3,(H,24,29)/t17-/m0/s1

InChI Key

NHQBRUJBMLJVHS-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-2.49

Polar Surface Area

80.857

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

L729-0129 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L729-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L729-0129?
Check Price and Availability of L729-0129, 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 L729-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L729-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L729-0129
  • 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 L729-0129 available by request