Y041-7022 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide

Y041-7022 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide
Y041-7022 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7022
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-3-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

Y041-7022

Molecular Formula

C16H17FN4O4S (C16 H17 FN4 O4 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2cccc(F)c12)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C16H17FN4O4S/c17-11-2-1-3-12-14(11)15(20-19-12)21-7-9(6-13(21)22)16(23)18-10-4-5-26(24,25)8-10/h1-3,9-10H,4-8H2,(H,18,23)(H,19,20)

InChI Key

SJKPREHZRXHEIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23137101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.079

Distribution Coefficient, logD

-0.079

Water Solubility, LogSw

-2.29

Polar Surface Area

91.973

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

Y041-7022 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y041-7022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7022?
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What is the minimum amount of Y041-7022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7022
  • 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 Y041-7022 available by request