Y041-8144 Screening compound: N-(1,1-dioxidotetrahydro-3-thienyl)-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide

Y041-8144 Screening compound: N-(1,1-dioxidotetrahydro-3-thienyl)-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide
Y041-8144 Screening compound: N-(1,1-dioxidotetrahydro-3-thienyl)-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8144
N-(1,1-dioxidotetrahydro-3-thienyl)-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-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

Y041-8144

Molecular Formula

C15H21N5O3S (C15 H21 N5 O3 S)

Compound Name

N-(1,1-dioxidotetrahydro-3-thienyl)-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1'-ethyl-3'5'-dimethyl-1H1'H-[34'-bipyrazole]-5-carboxamide

SMILES

CCn1nc(C)c(-c2n[nH]c(C(NC(CC3)CS3(=O)=O)=O)c2)c1C

InChI

InChI=1S/C15H21N5O3S/c1-4-20-10(3)14(9(2)19-20)12-7-13(18-17-12)15(21)16-11-5-6-24(22,23)8-11/h7,11H,4-6,8H2,1-3H3,(H,16,21)(H,17,18)/t11-/m1/s1

InChI Key

NOPDFVCADNZJGE-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28366779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.233

Distribution Coefficient, logD

-0.233

Water Solubility, LogSw

-1.90

Polar Surface Area

89.582

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

Y041-8144 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)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-8144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8144?
Check Price and Availability of Y041-8144, 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 Y041-8144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8144
  • 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 Y041-8144 available by request