K786-3529 Screening compound: 3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea

K786-3529 Screening compound: 3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea
K786-3529 Screening compound: 3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3529
3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea

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

K786-3529

Molecular Formula

C21H26F3N3OS (C21 H26 F3 N3 OS)

Compound Name

3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

3-[(furan-2-yl)methyl]-3-[1-(propan-2-yl)piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]thiourea

SMILES

CC(C)N(CC1)CCC1N(Cc1ccco1)C(Nc1cc(C(F)(F)F)ccc1)=S

InChI

InChI=1S/C21H26F3N3OS/c1-15(2)26-10-8-18(9-11-26)27(14-19-7-4-12-28-19)20(29)25-17-6-3-5-16(13-17)21(22,23)24/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,25,29)

InChI Key

BJKJXYWWGYKVDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-5.66

Polar Surface Area

21.285

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

K786-3529 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3529?
Check Price and Availability of K786-3529, 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 K786-3529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3529
  • 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 K786-3529 available by request