3389-0023 Screening compound: 2',3',4,5-tetramethyl 5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0023 Screening compound: 2',3',4,5-tetramethyl 5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0023 Screening compound: 2',3',4,5-tetramethyl 5',5',9'-trimethyl-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 3389-0023
2',3',4,5-tetramethyl 5',5',9'-trimethyl-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

3389-0023

Molecular Formula

C25H25NO8S3 (C25 H25 NO8 S3)

Compound Name

2',3',4,5-tetramethyl 5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 5'5'9'-trimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CC1(C)Nc(ccc(C)c2)c2C(C23SC(C(OC)=O)=C(C(OC)=O)S2)=C1SC(C(OC)=O)=C3C(OC)=O

InChI

InChI=1S/C25H25NO8S3/c1-11-8-9-13-12(10-11)14-19(24(2,3)26-13)35-16(21(28)32-5)15(20(27)31-4)25(14)36-17(22(29)33-6)18(37-25)23(30)34-7/h8-10,26H,1-7H3

InChI Key

YSEKLCDNLDWBCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00475728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.67

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.164

Water Solubility, LogSw

-4.97

Polar Surface Area

96.498

Acid Dissociation Constant (pKa)

17.15

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

3389-0023 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3389-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0023?
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What is the minimum amount of 3389-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0023
  • 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 3389-0023 available by request