Y501-9662 Screening compound: 1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Y501-9662 Screening compound: 1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Y501-9662 Screening compound: 1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9662
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

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

Y501-9662

Molecular Formula

C27H19BrCl2N6O3 (C27 H19 BrCl2 N6 O3)

Compound Name

1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

IUPAC name

1-{2-[3-(4-bromophenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(24-dichlorophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(CN(C1C(N2c(ccc(Cl)c3)c3Cl)=O)N=NC1C2=O)N(C(C1)c2ccccc2)N=C1c(cc1)ccc1Br

InChI

InChI=1S/C27H19BrCl2N6O3/c28-17-8-6-15(7-9-17)20-13-22(16-4-2-1-3-5-16)36(32-20)23(37)14-34-25-24(31-33-34)26(38)35(27(25)39)21-11-10-18(29)12-19(21)30/h1-12,22,24-25H,13-14H2

InChI Key

SSHXXUAFADCTCG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-5.72

Polar Surface Area

83.692

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.52

References: we are preparing a list of scientific research reports with Y501-9662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9662?
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What is the minimum amount of Y501-9662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9662
  • 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 Y501-9662 available by request