4151-0077 Screening compound: 2',4-diethyl 6'-ethyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate

4151-0077 Screening compound: 2',4-diethyl 6'-ethyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate
4151-0077 Screening compound: 2',4-diethyl 6'-ethyl-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 4151-0077
2',4-diethyl 6'-ethyl-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

4151-0077

Molecular Formula

C24H27NO4S3 (C24 H27 NO4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C1(C)C)c(cccc2)c2C(C23SC(C(OCC)=O)=CS2)=C1SC=C3C(OCC)=O

InChI

InChI=1S/C24H27NO4S3/c1-6-25-17-12-10-9-11-15(17)19-20(23(25,4)5)30-13-16(21(26)28-7-2)24(19)31-14-18(32-24)22(27)29-8-3/h9-14H,6-8H2,1-5H3/t24-/m0/s1

InChI Key

HSVLUVATDPNHTB-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02816962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.742

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-5.48

Polar Surface Area

43.274

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

4151-0077 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4151-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0077?
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What is the minimum amount of 4151-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0077
  • 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 4151-0077 available by request