3390-0147 Screening compound: 3',5-diethyl 9'-methoxy-5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',5-dicarboxylate

3390-0147 Screening compound: 3',5-diethyl 9'-methoxy-5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',5-dicarboxylate
3390-0147 Screening compound: 3',5-diethyl 9'-methoxy-5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0147
3',5-diethyl 9'-methoxy-5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',5-dicarboxylate

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

3390-0147

Molecular Formula

C31H31NO6S3 (C31 H31 NO6 S3)

Compound Name

3',5-diethyl 9'-methoxy-5',5'-dimethyl-6'-(2-phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',5-dicarboxylate

IUPAC name

3'5-diethyl 9'-methoxy-5'5'-dimethyl-6'-(2-phenylacetyl)-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-3'5-dicarboxylate

SMILES

CCOC(C1=CSC2(C(c(cc(cc3)OC)c3N(C3(C)C)C(Cc4ccccc4)=O)=C3SC(C(OCC)=O)=C2)S1)=O

InChI

InChI=1S/C31H31NO6S3/c1-6-37-28(34)23-17-31(39-18-24(41-31)29(35)38-7-2)26-21-16-20(36-5)13-14-22(21)32(30(3,4)27(26)40-23)25(33)15-19-11-9-8-10-12-19/h8-14,16-18H,6-7,15H2,1-5H3/t31-/m0/s1

InChI Key

ILJKOGAYCZXTAY-HKBQPEDESA-N

MDL Number (MFCD)

MFCD01975695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.79

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.837

Distribution Coefficient, logD

6.837

Water Solubility, LogSw

-5.75

Polar Surface Area

62.879

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with 3390-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0147?
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What is the minimum amount of 3390-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0147
  • 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 3390-0147 available by request