F854-1314 Screening compound: N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide

F854-1314 Screening compound: N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
F854-1314 Screening compound: N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-1314
N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-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

F854-1314

Molecular Formula

C23H20ClN5O2S (C23 H20 ClN5 O2 S)

Compound Name

N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-5-cyclopropyl-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C2CC2)s1)Nc1cccc(C(NCCc2c[nH]c(cc3)c2cc3Cl)=O)c1

InChI

InChI=1S/C23H20ClN5O2S/c24-16-6-7-19-18(11-16)15(12-26-19)8-9-25-20(30)14-2-1-3-17(10-14)27-21(31)23-29-28-22(32-23)13-4-5-13/h1-3,6-7,10-13,26H,4-5,8-9H2,(H,25,30)(H,27,31)

InChI Key

OIHJVQBGUSVASN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27200042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.55

Polar Surface Area

81.211

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F854-1314 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F854-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-1314?
Check Price and Availability of F854-1314, 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 F854-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-1314
  • 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 F854-1314 available by request