7746-0005 Screening compound: 2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene

7746-0005 Screening compound: 2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene
7746-0005 Screening compound: 2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene alternative view

Chemical Structure Depiction of ChemDiv screening compound 7746-0005
2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene

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

7746-0005

Molecular Formula

C21H18OS (C21 H18 OS)

Compound Name

2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene

IUPAC name

2-methyl-9-[(4-methylphenyl)sulfanyl]-9H-xanthene

SMILES

Cc(cc1)ccc1SC1c(cc(C)cc2)c2Oc2c1cccc2

InChI

InChI=1S/C21H18OS/c1-14-7-10-16(11-8-14)23-21-17-5-3-4-6-19(17)22-20-12-9-15(2)13-18(20)21/h3-13,21H,1-2H3/t21-/m0/s1

InChI Key

XCBPBLISZUOGPU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14712986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.483

Water Solubility, LogSw

-5.90

Polar Surface Area

6.780

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

7746-0005 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7746-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7746-0005?
Check Price and Availability of 7746-0005, 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 7746-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7746-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7746-0005
  • 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 7746-0005 available by request