Y508-5503 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Y508-5503 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Y508-5503 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-5503
tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

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

Y508-5503

Molecular Formula

C36H38N2O12S3 (C36 H38 N2 O12 S3)

Compound Name

tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

n/a

SMILES

CCOc(cc1)cc(C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C(C2(C)C)SC(C(OC)=O)=C3C(OC)=O)c1N2C(CN(C(C1C2CCCC1)=O)C2=O)=O

InChI

InChI=1S/C36H38N2O12S3/c1-8-50-17-13-14-21-20(15-17)23-28(35(2,3)38(21)22(39)16-37-29(40)18-11-9-10-12-19(18)30(37)41)51-25(32(43)47-5)24(31(42)46-4)36(23)52-26(33(44)48-6)27(53-36)34(45)49-7/h13-15,18-19H,8-12,16H2,1-7H3

InChI Key

HYRVDRBDVZVUEF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

786.9

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.58

Polar Surface Area

135.363

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.20

References: we are preparing a list of scientific research reports with Y508-5503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-5503?
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What is the minimum amount of Y508-5503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-5503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-5503
  • 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 Y508-5503 available by request