L729-0066 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

L729-0066 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE
L729-0066 Screening compound: 1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L729-0066
1-{[1-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-4-YL]SULFONYL}-N-[2-(2-METHYL-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

L729-0066

Molecular Formula

C16H21F2N5O3S2 (C16 H21 F2 N5 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C16H21F2N5O3S2/c1-10-14(8-20-23(10)16(17)18)28(25,26)22-7-3-4-13(22)15(24)19-6-5-12-9-27-11(2)21-12/h8-9,13,16H,3-7H2,1-2H3,(H,19,24)/t13-/m0/s1

InChI Key

ORIWKQXDCWHRBY-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.567

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-1.72

Polar Surface Area

80.935

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

L729-0066 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L729-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L729-0066?
Check Price and Availability of L729-0066, 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 L729-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L729-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L729-0066
  • 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 L729-0066 available by request