L729-0026 Screening compound: 1-[(4-ACETYL-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE

L729-0026 Screening compound: 1-[(4-ACETYL-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE
L729-0026 Screening compound: 1-[(4-ACETYL-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L729-0026
1-[(4-ACETYL-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)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

L729-0026

Molecular Formula

C22H28N4O5S2 (C22 H28 N4 O5 S2)

Compound Name

1-[(4-ACETYL-6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)SULFONYL]-N~2~-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]-2-PYRROLIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CC(N(CCOc1c2)c1cc(C)c2S(N(CCC1)C1C(NCCc1csc(C)n1)=O)(=O)=O)=O

InChI

InChI=1S/C22H28N4O5S2/c1-14-11-19-20(31-10-9-25(19)16(3)27)12-21(14)33(29,30)26-8-4-5-18(26)22(28)23-7-6-17-13-32-15(2)24-17/h11-13,18H,4-10H2,1-3H3,(H,23,28)/t18-/m0/s1

InChI Key

GKQZNJROIGOADF-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.41

Polar Surface Area

91.352

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L729-0026 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L729-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L729-0026?
Check Price and Availability of L729-0026, 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 L729-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L729-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L729-0026
  • 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 L729-0026 available by request