3389-0016 Screening compound: 2',3',4,5-tetraethyl 5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

3389-0016 Screening compound: 2',3',4,5-tetraethyl 5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
3389-0016 Screening compound: 2',3',4,5-tetraethyl 5',5',8'-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 3389-0016
2',3',4,5-tetraethyl 5',5',8'-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

3389-0016

Molecular Formula

C29H33NO8S3 (C29 H33 NO8 S3)

Compound Name

2',3',4,5-tetraethyl 5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

IUPAC name

2'3'45-tetraethyl 5'5'8'-trimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'3'45-tetracarboxylate

SMILES

CCOC(C1=C(C(OCC)=O)SC2(C(c(ccc(C)c3)c3NC3(C)C)=C3SC(C(OCC)=O)=C2C(OCC)=O)S1)=O

InChI

InChI=1S/C29H33NO8S3/c1-8-35-24(31)19-20(25(32)36-9-2)39-23-18(16-13-12-15(5)14-17(16)30-28(23,6)7)29(19)40-21(26(33)37-10-3)22(41-29)27(34)38-11-4/h12-14,30H,8-11H2,1-7H3

InChI Key

RFVHBJGABDCOHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00532508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.78

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.618

Distribution Coefficient, logD

6.618

Water Solubility, LogSw

-5.60

Polar Surface Area

94.817

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

3389-0016 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 3389-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0016?
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What is the minimum amount of 3389-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0016
  • 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 3389-0016 available by request