3389-0368 Screening compound: 2',3',4,5-tetramethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0368 Screening compound: 2',3',4,5-tetramethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0368 Screening compound: 2',3',4,5-tetramethyl 7'-ethoxy-5',5'-dimethyl-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 3389-0368
2',3',4,5-tetramethyl 7'-ethoxy-5',5'-dimethyl-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

3389-0368

Molecular Formula

C26H27NO9S3 (C26 H27 NO9 S3)

Compound Name

2',3',4,5-tetramethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetramethyl 7'-ethoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CCOc1cccc2c1NC(C)(C)C(SC(C(OC)=O)=C1C(OC)=O)=C2C11SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C26H27NO9S3/c1-8-36-13-11-9-10-12-14-20(25(2,3)27-16(12)13)37-17(22(29)33-5)15(21(28)32-4)26(14)38-18(23(30)34-6)19(39-26)24(31)35-7/h9-11,27H,8H2,1-7H3

InChI Key

UKTMEGWLYKYGGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.7

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.55

Polar Surface Area

101.456

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3389-0368 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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 3389-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0368?
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What is the minimum amount of 3389-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0368
  • 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 3389-0368 available by request