Y010-1751 Screening compound: 4-(4,5-diphenyl-1,3-dithiol-2-yliden)-2,2,6-trimethyl-1,4-dihydro-3(2H)-quinolinethione

Y010-1751 Screening compound: 4-(4,5-diphenyl-1,3-dithiol-2-yliden)-2,2,6-trimethyl-1,4-dihydro-3(2H)-quinolinethione
Y010-1751 Screening compound: 4-(4,5-diphenyl-1,3-dithiol-2-yliden)-2,2,6-trimethyl-1,4-dihydro-3(2H)-quinolinethione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1751
4-(4,5-diphenyl-1,3-dithiol-2-yliden)-2,2,6-trimethyl-1,4-dihydro-3(2H)-quinolinethione

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

Y010-1751

Molecular Formula

C27H23NS3 (C27 H23 NS3)

Compound Name

4-(4,5-diphenyl-1,3-dithiol-2-yliden)-2,2,6-trimethyl-1,4-dihydro-3(2H)-quinolinethione

IUPAC name

4-(45-diphenyl-2H-13-dithiol-2-ylidene)-226-trimethyl-1234-tetrahydroquinoline-3-thione

SMILES

CC(C)(C1=S)Nc(ccc(C)c2)c2C1=C1SC(c2ccccc2)=C(c2ccccc2)S1

InChI

InChI=1S/C27H23NS3/c1-17-14-15-21-20(16-17)22(25(29)27(2,3)28-21)26-30-23(18-10-6-4-7-11-18)24(31-26)19-12-8-5-9-13-19/h4-16,28H,1-3H3

InChI Key

UJYLCGMEGFAMCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

8.227

Distribution Coefficient, logD

8.227

Water Solubility, LogSw

-6.17

Polar Surface Area

11.339

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.81

Y010-1751 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1751?
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What is the minimum amount of Y010-1751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1751
  • 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 Y010-1751 available by request