8006-7749 Screening compound: 2',3',4,5-tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

8006-7749 Screening compound: 2',3',4,5-tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
8006-7749 Screening compound: 2',3',4,5-tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)-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 8006-7749
2',3',4,5-tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)-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

8006-7749

Molecular Formula

C33H31NO9S3 (C33 H31 NO9 S3)

Compound Name

2',3',4,5-tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 5'5'7'-trimethyl-6'-(2-phenylacetyl)-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)N(C(Cc2ccccc2)=O)c(c(C)ccc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C33H31NO9S3/c1-17-12-11-15-19-21-27(32(2,3)34(23(17)19)20(35)16-18-13-9-8-10-14-18)44-24(29(37)41-5)22(28(36)40-4)33(21)45-25(30(38)42-6)26(46-33)31(39)43-7/h8-15H,16H2,1-7H3

InChI Key

WDKYWRABUMKING-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

681.81

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.940

Distribution Coefficient, logD

5.940

Water Solubility, LogSw

-5.63

Polar Surface Area

99.680

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with 8006-7749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7749?
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What is the minimum amount of 8006-7749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7749
  • 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 8006-7749 available by request