4157-0332 Screening compound: 2',4-diethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate

4157-0332 Screening compound: 2',4-diethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate
4157-0332 Screening compound: 2',4-diethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0332
2',4-diethyl 7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-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

4157-0332

Molecular Formula

C24H27NO5S3 (C24 H27 NO5 S3)

Compound Name

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

IUPAC name

2'4-diethyl 7'-ethoxy-5'5'-dimethyl-5'6'-dihydrospiro[13-dithiole-21'-thiopyrano[23-c]quinoline]-2'4-dicarboxylate

SMILES

CCOC(C1=CSC2(C(c(cccc3OCC)c3NC3(C)C)=C3SC=C2C(OCC)=O)S1)=O

InChI

InChI=1S/C24H27NO5S3/c1-6-28-16-11-9-10-14-18-20(23(4,5)25-19(14)16)31-12-15(21(26)29-7-2)24(18)32-13-17(33-24)22(27)30-8-3/h9-13,25H,6-8H2,1-5H3/t24-/m0/s1

InChI Key

UUUZYGYBLBLDSS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02127781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.481

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.48

Polar Surface Area

58.268

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

4157-0332 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4157-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0332?
Check Price and Availability of 4157-0332, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4157-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0332
  • 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 4157-0332 available by request