Y501-9672 Screening compound: 5-(2,4-dichlorophenyl)-1-(2-{3-(2,4-dichlorophenyl)-7-[(E)-1-(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Y501-9672 Screening compound: 5-(2,4-dichlorophenyl)-1-(2-{3-(2,4-dichlorophenyl)-7-[(E)-1-(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Y501-9672 Screening compound: 5-(2,4-dichlorophenyl)-1-(2-{3-(2,4-dichlorophenyl)-7-[(E)-1-(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9672
5-(2,4-dichlorophenyl)-1-(2-{3-(2,4-dichlorophenyl)-7-[(E)-1-(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-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

Y501-9672

Molecular Formula

C32H22Cl6N6O3 (C32 H22 Cl6 N6 O3)

Compound Name

5-(2,4-dichlorophenyl)-1-(2-{3-(2,4-dichlorophenyl)-7-[(E)-1-(2,4-dichlorophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}-2-oxoethyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

IUPAC name

5-(24-dichlorophenyl)-1-{2-[(7E)-3-(24-dichlorophenyl)-7-[(24-dichlorophenyl)methylidene]-33a4567-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(CN(C1C(N2c(ccc(Cl)c3)c3Cl)=O)N=NC1C2=O)N(C(C1CCC2)c(ccc(Cl)c3)c3Cl)N=C1/C2=C/c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C32H22Cl6N6O3/c33-17-5-4-15(22(36)11-17)10-16-2-1-3-21-27(16)40-44(29(21)20-8-6-18(34)12-23(20)37)26(45)14-42-30-28(39-41-42)31(46)43(32(30)47)25-9-7-19(35)13-24(25)38/h4-13,21,28-30H,1-3,14H2

InChI Key

ZMRWHIBHQGPKIU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

751.28

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

8.520

Distribution Coefficient, logD

8.520

Water Solubility, LogSw

-6.85

Polar Surface Area

82.126

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y501-9672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9672?
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What is the minimum amount of Y501-9672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9672
  • 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 Y501-9672 available by request