F854-0820 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

F854-0820 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
F854-0820 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0820
N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}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

F854-0820

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-134-thiadiazole-2-carboxamide

SMILES

CC(C)Cc1nnc(C(Nc2cc(C(NCCC3=CCCCC3)=O)ccc2)=O)s1

InChI

InChI=1S/C22H28N4O2S/c1-15(2)13-19-25-26-22(29-19)21(28)24-18-10-6-9-17(14-18)20(27)23-12-11-16-7-4-3-5-8-16/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

MKZZWGUJNJZAIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.21

Polar Surface Area

71.776

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F854-0820 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)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with F854-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0820?
Check Price and Availability of F854-0820, 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 F854-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0820
  • 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 F854-0820 available by request