4477-0598 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

4477-0598 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
4477-0598 Screening compound: 2',3',4,5-tetramethyl 6'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-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 4477-0598
2',3',4,5-tetramethyl 6'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-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

4477-0598

Molecular Formula

C35H30N2O12S3 (C35 H30 N2 O12 S3)

Compound Name

2',3',4,5-tetramethyl 6'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 6'-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetyl]-8'-methoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(CN(C(c2c3cccc2)=O)C3=O)=O)c(cc(cc2)OC)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C35H30N2O12S3/c1-34(2)27-22(35(23(30(41)46-4)24(50-27)31(42)47-5)51-25(32(43)48-6)26(52-35)33(44)49-7)19-13-12-16(45-3)14-20(19)37(34)21(38)15-36-28(39)17-10-8-9-11-18(17)29(36)40/h8-14H,15H2,1-7H3

InChI Key

GPJPCWVIVKQSPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

766.83

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.64

Polar Surface Area

135.591

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4477-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0598
  • 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 4477-0598 available by request