F854-0844 Screening compound: N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

F854-0844 Screening compound: N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
F854-0844 Screening compound: N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0844
N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

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

F854-0844

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-[3-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)-134-thiadiazole-2-carboxamide

SMILES

CC(C)Cc1nnc(C(Nc2cc(C(NC3CCCCC3)=O)ccc2)=O)s1

InChI

InChI=1S/C20H26N4O2S/c1-13(2)11-17-23-24-20(27-17)19(26)22-16-10-6-7-14(12-16)18(25)21-15-8-4-3-5-9-15/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3,(H,21,25)(H,22,26)

InChI Key

MAONTCABECDAGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.24

Polar Surface Area

71.468

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F854-0844 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cardiovascular Library (22201 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F854-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0844?
Check Price and Availability of F854-0844, 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 F854-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0844
  • 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 F854-0844 available by request