K786-4085 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]thiourea

K786-4085 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]thiourea
K786-4085 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4085
3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]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

K786-4085

Molecular Formula

C26H35N3O3S (C26 H35 N3 O3 S)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]thiourea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-(4-phenoxyphenyl)-3-[3-(propan-2-yloxy)propyl]thiourea

SMILES

CC(C)OCCCN(C(CC1)CCN1C(C)=O)C(Nc(cc1)ccc1Oc1ccccc1)=S

InChI

InChI=1S/C26H35N3O3S/c1-20(2)31-19-7-16-29(23-14-17-28(18-15-23)21(3)30)26(33)27-22-10-12-25(13-11-22)32-24-8-5-4-6-9-24/h4-6,8-13,20,23H,7,14-19H2,1-3H3,(H,27,33)

InChI Key

PWCHMMPKEUMJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.46

Polar Surface Area

41.067

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K786-4085 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K786-4085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4085?
Check Price and Availability of K786-4085, 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 K786-4085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4085
  • 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 K786-4085 available by request