Y041-6298 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

Y041-6298 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide
Y041-6298 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6298
5-(2,3-dihydro-1-benzofuran-5-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

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

Y041-6298

Molecular Formula

C16H17N3O4S (C16 H17 N3 O4 S)

Compound Name

5-(2,3-dihydro-1-benzofuran-5-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

IUPAC name

5-(23-dihydro-1-benzofuran-5-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-3-carboxamide

SMILES

O=C(c1n[nH]c(-c(cc2)cc3c2OCC3)c1)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C16H17N3O4S/c20-16(17-12-4-6-24(21,22)9-12)14-8-13(18-19-14)10-1-2-15-11(7-10)3-5-23-15/h1-2,7-8,12H,3-6,9H2,(H,17,20)(H,18,19)/t12-/m1/s1

InChI Key

OMPNOQOCEQRGHK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27963025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

1.059

Water Solubility, LogSw

-2.37

Polar Surface Area

83.542

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y041-6298 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-6298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6298?
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What is the minimum amount of Y041-6298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6298
  • 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 Y041-6298 available by request