Y041-4804 Screening compound: 6-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Y041-4804 Screening compound: 6-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Y041-4804 Screening compound: 6-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4804
6-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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

Y041-4804

Molecular Formula

C15H17N3O4S (C15 H17 N3 O4 S)

Compound Name

6-cyclopropyl-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

IUPAC name

6-cyclopropyl-1-(11-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazolo[34-b]pyridine-4-carboxylic acid

SMILES

Cc1nn(C(CC2)CS2(=O)=O)c2nc(C3CC3)cc(C(O)=O)c12

InChI

InChI=1S/C15H17N3O4S/c1-8-13-11(15(19)20)6-12(9-2-3-9)16-14(13)18(17-8)10-4-5-23(21,22)7-10/h6,9-10H,2-5,7H2,1H3,(H,19,20)/t10-/m1/s1

InChI Key

GENJQCQDMUDBOT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD06382834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.262

Distribution Coefficient, logD

-2.019

Water Solubility, LogSw

-1.90

Polar Surface Area

80.564

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

Y041-4804 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-4804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4804?
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What is the minimum amount of Y041-4804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4804
  • 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 Y041-4804 available by request