F792-1477 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

F792-1477 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
F792-1477 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-{1-[2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F792-1477
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-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

F792-1477

Molecular Formula

C24H24N4O6S (C24 H24 N4 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-{1-[2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-{1-[2-(34-dimethoxyphenyl)acetyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide

SMILES

COc(ccc(CC(N(CCC1)C1c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)c1)c1OC

InChI

InChI=1S/C24H24N4O6S/c1-31-17-7-5-14(10-19(17)32-2)11-21(29)28-9-3-4-16(28)23-26-27-24(35-23)22(30)25-15-6-8-18-20(12-15)34-13-33-18/h5-8,10,12,16H,3-4,9,11,13H2,1-2H3,(H,25,30)/t16-/m0/s1

InChI Key

DTUAOJIOKWLGCY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27190204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-3.02

Polar Surface Area

95.119

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F792-1477 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F792-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F792-1477?
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What is the minimum amount of F792-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F792-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F792-1477
  • 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 F792-1477 available by request