8010-5399 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

8010-5399 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
8010-5399 Screening compound: tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-5',5',8',9'-tetramethyl-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 8010-5399
tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-5',5',8',9'-tetramethyl-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

8010-5399

Molecular Formula

C36H38N2O11S3 (C36 H38 N2 O11 S3)

Compound Name

tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-5',5',8',9'-tetramethyl-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-octahydro-1H-isoindol-2-yl)acetyl]-5'5'8'9'-tetramethyl-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(C)c(C)c2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C36H38N2O11S3/c1-16-13-20-21(14-17(16)2)38(22(39)15-37-29(40)18-11-9-10-12-19(18)30(37)41)35(3,4)28-23(20)36(24(31(42)46-5)25(50-28)32(43)47-6)51-26(33(44)48-7)27(52-36)34(45)49-8/h13-14,18-19H,9-12,15H2,1-8H3

InChI Key

URJXRQWQJASMIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

770.9

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-4.92

Polar Surface Area

128.240

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.22

References: we are preparing a list of scientific research reports with 8010-5399 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 8010-5399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5399
  • 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 8010-5399 available by request