8009-6345 Screening compound: tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

8009-6345 Screening compound: tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
8009-6345 Screening compound: tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(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 8009-6345
tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(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

8009-6345

Molecular Formula

C38H41NO10S3 (C38 H41 NO10 S3)

Compound Name

tetraethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetraethyl 9'-ethoxy-5'5'-dimethyl-6'-(2-phenylacetyl)-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CCOC(C1=C(C(OCC)=O)SC2(C(c(cc(cc3)OCC)c3N(C3(C)C)C(Cc4ccccc4)=O)=C3SC(C(OCC)=O)=C2C(OCC)=O)S1)=O

InChI

InChI=1S/C38H41NO10S3/c1-8-45-23-18-19-25-24(21-23)27-32(37(6,7)39(25)26(40)20-22-16-14-13-15-17-22)50-29(34(42)47-10-3)28(33(41)46-9-2)38(27)51-30(35(43)48-11-4)31(52-38)36(44)49-12-5/h13-19,21H,8-12,20H2,1-7H3

InChI Key

OTTINFGMMRRHKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

767.94

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.006

Distribution Coefficient, logD

8.006

Water Solubility, LogSw

-5.79

Polar Surface Area

103.966

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.47

References: we are preparing a list of scientific research reports with 8009-6345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6345?
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What is the minimum amount of 8009-6345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6345
  • 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 8009-6345 available by request