Y041-6304 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

Y041-6304 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Y041-6304 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6304
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-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

Y041-6304

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

5-(23-dihydro-1-benzofuran-5-yl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

O=C(c1n[nH]c(-c(cc2)cc3c2OCC3)c1)NCC1OCCC1

InChI

InChI=1S/C17H19N3O3/c21-17(18-10-13-2-1-6-22-13)15-9-14(19-20-15)11-3-4-16-12(8-11)5-7-23-16/h3-4,8-9,13H,1-2,5-7,10H2,(H,18,21)(H,19,20)/t13-/m1/s1

InChI Key

SXZKDOGCDFNYQY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27963031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

1.963

Water Solubility, LogSw

-2.48

Polar Surface Area

64.034

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

Y041-6304 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-6304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6304?
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What is the minimum amount of Y041-6304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6304
  • 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 Y041-6304 available by request