8010-1061 Screening compound: tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

8010-1061 Screening compound: tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
8010-1061 Screening compound: tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-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 8010-1061
tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-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

8010-1061

Molecular Formula

C42H36N2O12S3 (C42 H36 N2 O12 S3)

Compound Name

tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-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)-3-phenylpropanoyl]-9'-methoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)c(ccc(OC)c2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C42H36N2O12S3/c1-41(2)33-28(42(29(37(48)53-4)30(57-33)38(49)54-5)58-31(39(50)55-6)32(59-42)40(51)56-7)25-20-22(52-3)17-18-26(25)44(41)36(47)27(19-21-13-9-8-10-14-21)43-34(45)23-15-11-12-16-24(23)35(43)46/h8-18,20,27H,19H2,1-7H3/t27-/m0/s1

InChI Key

PCMNVHIYRPYXFU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01171292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

856.95

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

7.212

Distribution Coefficient, logD

7.212

Water Solubility, LogSw

-5.80

Polar Surface Area

134.772

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.19

References: we are preparing a list of scientific research reports with 8010-1061 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 8010-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1061
  • 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 8010-1061 available by request