L729-0067 Screening compound: 1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE

L729-0067 Screening compound: 1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE
L729-0067 Screening compound: 1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L729-0067
1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE

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

L729-0067

Molecular Formula

C16H22N4O4S2 (C16 H22 N4 O4 S2)

Compound Name

1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(N(CCC1)C1C(NCCc1csc(C)n1)=O)(=O)=O

InChI

InChI=1S/C16H22N4O4S2/c1-10-15(11(2)24-19-10)26(22,23)20-8-4-5-14(20)16(21)17-7-6-13-9-25-12(3)18-13/h9,14H,4-8H2,1-3H3,(H,17,21)/t14-/m0/s1

InChI Key

VQLPUTUHVBQCHP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.750

Distribution Coefficient, logD

0.750

Water Solubility, LogSw

-1.72

Polar Surface Area

89.386

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

L729-0067 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L729-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L729-0067?
Check Price and Availability of L729-0067, 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 L729-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L729-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L729-0067
  • 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 L729-0067 available by request