8008-7701 Screening compound: 4-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)-2-furyl]benzoic acid

8008-7701 Screening compound: 4-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)-2-furyl]benzoic acid
8008-7701 Screening compound: 4-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)-2-furyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7701
4-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)-2-furyl]benzoic acid

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

8008-7701

Molecular Formula

C22H12F3NO4S2 (C22 H12 F3 NO4 S2)

Compound Name

4-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)-2-furyl]benzoic acid

IUPAC name

4-(5-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c(cc1)ccc1-c1ccc(/C=C(/C(N2c3cc(C(F)(F)F)ccc3)=O)\SC2=S)o1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.964

Distribution Coefficient, logD

2.236

Water Solubility, LogSw

-6.02

Polar Surface Area

51.809

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

8008-7701 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 8008-7701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7701?
Check Price and Availability of 8008-7701, 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 8008-7701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7701
  • 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 8008-7701 available by request