Y508-4586 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-[({1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-1H-pyrazole-3-carboxamide

Y508-4586 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-[({1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-1H-pyrazole-3-carboxamide
Y508-4586 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-[({1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-4586
N~3~-(2-furylmethyl)-1-methyl-4-[({1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-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

Y508-4586

Molecular Formula

C22H20N10O3 (C22 H20 N10 O3)

Compound Name

N~3~-(2-furylmethyl)-1-methyl-4-[({1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-1H-pyrazole-3-carboxamide

IUPAC name

n/a

SMILES

Cn1nc(C(NCc2ccco2)=O)c(NC(c2nn(Cn3nnc(-c4ccccc4)n3)cc2)=O)c1

InChI

InChI=1S/C22H20N10O3/c1-30-13-18(19(27-30)22(34)23-12-16-8-5-11-35-16)24-21(33)17-9-10-31(26-17)14-32-28-20(25-29-32)15-6-3-2-4-7-15/h2-11,13H,12,14H2,1H3,(H,23,34)(H,24,33)

InChI Key

WGBCOWGEWDELJL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-1.77

Polar Surface Area

124.335

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with Y508-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-4586?
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What is the minimum amount of Y508-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-4586
  • 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 Y508-4586 available by request