4351-0049 Screening compound: 2-(trifluoromethyl)-2,3-dihydro-11H-benzo[h]thieno[2,3-c]chromen-11-one

4351-0049 Screening compound: 2-(trifluoromethyl)-2,3-dihydro-11H-benzo[h]thieno[2,3-c]chromen-11-one
4351-0049 Screening compound: 2-(trifluoromethyl)-2,3-dihydro-11H-benzo[h]thieno[2,3-c]chromen-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4351-0049
2-(trifluoromethyl)-2,3-dihydro-11H-benzo[h]thieno[2,3-c]chromen-11-one

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

4351-0049

Molecular Formula

C16H9F3O2S (C16 H9 F3 O2 S)

Compound Name

2-(trifluoromethyl)-2,3-dihydro-11H-benzo[h]thieno[2,3-c]chromen-11-one

IUPAC name

13-(trifluoromethyl)-17-oxa-14-thiatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-1357911(15)-hexaen-16-one

SMILES

O=C1Oc(c2ccccc2cc2)c2C(C2)=C1SC2C(F)(F)F

InChI

InChI=1S/C16H9F3O2S/c17-16(18,19)12-7-11-10-6-5-8-3-1-2-4-9(8)13(10)21-15(20)14(11)22-12/h1-6,12H,7H2/t12-/m0/s1

InChI Key

AYRAGWDXYIKBJF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02993966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-5.84

Polar Surface Area

20.859

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

4351-0049 in Drug Discovery

Included in Screening Libraries

Steroid-like Compounds (494 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4351-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4351-0049?
Check Price and Availability of 4351-0049, 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 4351-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4351-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4351-0049
  • 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 4351-0049 available by request