3389-0152 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0152 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0152 Screening compound: 2',3',4,5-tetramethyl 5',5'-dimethyl-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 3389-0152
2',3',4,5-tetramethyl 5',5'-dimethyl-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

3389-0152

Molecular Formula

C32H29NO9S3 (C32 H29 NO9 S3)

Compound Name

2',3',4,5-tetramethyl 5',5'-dimethyl-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'-dimethyl-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(cccc2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C32H29NO9S3/c1-31(2)26-21(18-14-10-11-15-19(18)33(31)20(34)16-17-12-8-7-9-13-17)32(22(27(35)39-3)23(43-26)28(36)40-4)44-24(29(37)41-5)25(45-32)30(38)42-6/h7-15H,16H2,1-6H3

InChI Key

VVNJNCONZYORMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.78

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

5.595

Distribution Coefficient, logD

5.595

Water Solubility, LogSw

-5.54

Polar Surface Area

98.523

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with 3389-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3389-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0152
  • 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 3389-0152 available by request