8009-2763 Screening compound: (2Z)-4-{[1,1'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

8009-2763 Screening compound: (2Z)-4-{[1,1'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
8009-2763 Screening compound: (2Z)-4-{[1,1'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2763
(2Z)-4-{[1,1'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

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

8009-2763

Molecular Formula

C31H25F3N2OS (C31 H25 F3 N2 OS)

Compound Name

(2Z)-4-{[1,1'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-4-{[11'-biphenyl]-4-yl}-3-[2-(4-methoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

COc1ccc(CCN(C(c(cc2)ccc2-c2ccccc2)=CS2)/C2=N/c2cc(C(F)(F)F)ccc2)cc1

InChI

InChI=1S/C31H25F3N2OS/c1-37-28-16-10-22(11-17-28)18-19-36-29(25-14-12-24(13-15-25)23-6-3-2-4-7-23)21-38-30(36)35-27-9-5-8-26(20-27)31(32,33)34/h2-17,20-21H,18-19H2,1H3

InChI Key

CBNQQGNULOZTJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572756

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

530.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.929

Distribution Coefficient, logD

8.929

Water Solubility, LogSw

-6.10

Polar Surface Area

18.554

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

8009-2763 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 8009-2763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2763?
Check Price and Availability of 8009-2763, 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 8009-2763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2763
  • 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 8009-2763 available by request