F500-0472 Screening compound: N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-1,3,4-thiadiazole-2-carboxamide

F500-0472 Screening compound: N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-1,3,4-thiadiazole-2-carboxamide
F500-0472 Screening compound: N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F500-0472
N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-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

F500-0472

Molecular Formula

C21H21ClN6O3S (C21 H21 ClN6 O3 S)

Compound Name

N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-chlorophenyl)-5-({2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}methyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(COCc1nnc(C(Nc2cccc(Cl)c2)=O)s1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H21ClN6O3S/c22-15-4-3-5-16(12-15)24-20(30)21-26-25-18(32-21)13-31-14-19(29)28-10-8-27(9-11-28)17-6-1-2-7-23-17/h1-7,12H,8-11,13-14H2,(H,24,30)

InChI Key

NFWFDRVCZNIOGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.43

Polar Surface Area

83.656

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F500-0472 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F500-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F500-0472?
Check Price and Availability of F500-0472, 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 F500-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F500-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F500-0472
  • 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 F500-0472 available by request