8006-6669 Screening compound: tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(4-nitrobenzoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-{c}]quinoline]-2',3',4,5-tetracarboxylate

8006-6669 Screening compound: tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(4-nitrobenzoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-{c}]quinoline]-2',3',4,5-tetracarboxylate
8006-6669 Screening compound: tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(4-nitrobenzoyl)-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 8006-6669
tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(4-nitrobenzoyl)-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

8006-6669

Molecular Formula

C33H30N2O12S3 (C33 H30 N2 O12 S3)

Compound Name

tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(4-nitrobenzoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-{c}]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 7'-ethoxy-5'5'-dimethyl-6'-(4-nitrobenzoyl)-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CCOc1cccc(C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C(C2(C)C)SC(C(OC)=O)=C3C(OC)=O)c1N2C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C33H30N2O12S3/c1-8-47-19-11-9-10-18-20-26(32(2,3)34(22(18)19)27(36)16-12-14-17(15-13-16)35(41)42)48-23(29(38)44-5)21(28(37)43-4)33(20)49-24(30(39)45-6)25(50-33)31(40)46-7/h9-15H,8H2,1-7H3

InChI Key

GAGLYTWCROVIIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

742.81

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

5.801

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-5.55

Polar Surface Area

140.799

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with 8006-6669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6669?
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What is the minimum amount of 8006-6669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6669
  • 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 8006-6669 available by request