5989-0054 Screening compound: 2,7-dimethylthianthrene

5989-0054 Screening compound: 2,7-dimethylthianthrene
5989-0054 Screening compound: 2,7-dimethylthianthrene alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-0054
2,7-dimethylthianthrene

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

5989-0054

Molecular Formula

C14H12S2 (C14 H12 S2)

Compound Name

2,7-dimethylthianthrene

IUPAC name

27-dimethylthianthrene

SMILES

Cc(cc1)cc2c1Sc(cc(C)cc1)c1S2

InChI

InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3

InChI Key

AHXDSVSZEZHDLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00046937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.62

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

5989-0054 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 5989-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-0054?
Check Price and Availability of 5989-0054, 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 5989-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-0054
  • 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 5989-0054 available by request