3807-4114 Screening compound: 4,5-dimethyl 2-{1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

3807-4114 Screening compound: 4,5-dimethyl 2-{1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
3807-4114 Screening compound: 4,5-dimethyl 2-{1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4114
4,5-dimethyl 2-{1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-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

3807-4114

Molecular Formula

C25H24N2O8S3 (C25 H24 N2 O8 S3)

Compound Name

4,5-dimethyl 2-{1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-{1-[2-(25-dioxopyrrolidin-1-yl)acetyl]-7-methoxy-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene}-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(CN(C(CC2)=O)C2=O)=O)c(cc(cc2)OC)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C25H24N2O8S3/c1-25(2)21(36)18(24-37-19(22(31)34-4)20(38-24)23(32)35-5)13-7-6-12(33-3)10-14(13)27(25)17(30)11-26-15(28)8-9-16(26)29/h6-7,10H,8-9,11H2,1-5H3

InChI Key

QFQYFOVDAAHPBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.67

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.12

Polar Surface Area

94.150

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 3807-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4114
  • 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 3807-4114 available by request