4157-0369 Screening compound: 2',4-diethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate

4157-0369 Screening compound: 2',4-diethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate
4157-0369 Screening compound: 2',4-diethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0369
2',4-diethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-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

4157-0369

Molecular Formula

C26H29NO6S3 (C26 H29 NO6 S3)

Compound Name

2',4-diethyl 6'-acetyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate

IUPAC name

2'4-diethyl 6'-acetyl-9'-ethoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'4-dicarboxylate

SMILES

CCOC(C1=CSC2(C(c(cc(cc3)OCC)c3N(C3(C)C)C(C)=O)=C3SC=C2C(OCC)=O)S1)=O

InChI

InChI=1S/C26H29NO6S3/c1-7-31-16-10-11-19-17(12-16)21-22(25(5,6)27(19)15(4)28)34-13-18(23(29)32-8-2)26(21)35-14-20(36-26)24(30)33-9-3/h10-14H,7-9H2,1-6H3/t26-/m0/s1

InChI Key

IMUGRSQESVELFL-SANMLTNESA-N

MDL Number (MFCD)

MFCD02127782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.51

Polar Surface Area

63.725

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 4157-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0369?
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What is the minimum amount of 4157-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0369
  • 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 4157-0369 available by request