3389-0681 Screening compound: 2',3',4,5-tetramethyl 9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0681 Screening compound: 2',3',4,5-tetramethyl 9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0681 Screening compound: 2',3',4,5-tetramethyl 9'-methoxy-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 3389-0681
2',3',4,5-tetramethyl 9'-methoxy-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

3389-0681

Molecular Formula

C25H25NO9S3 (C25 H25 NO9 S3)

Compound Name

2',3',4,5-tetramethyl 9'-methoxy-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 9'-methoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

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

InChI

InChI=1S/C25H25NO9S3/c1-24(2)19-14(12-10-11(31-3)8-9-13(12)26-24)25(15(20(27)32-4)16(36-19)21(28)33-5)37-17(22(29)34-6)18(38-25)23(30)35-7/h8-10,26H,1-7H3

InChI Key

WFZFBVKGISZJBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00627118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.67

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.68

Polar Surface Area

104.042

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

3389-0681 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3389-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0681?
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What is the minimum amount of 3389-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0681
  • 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 3389-0681 available by request