F864-0781 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

F864-0781 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
F864-0781 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F864-0781
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-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

F864-0781

Molecular Formula

C23H28N6O5S (C23 H28 N6 O5 S)

Compound Name

1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

IUPAC name

1-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)NCCN1CCCC1

InChI

InChI=1S/C23H28N6O5S/c30-19(24-7-11-28-8-1-2-9-28)15-4-3-10-29(13-15)23(32)22-27-26-21(35-22)20(31)25-16-5-6-17-18(12-16)34-14-33-17/h5-6,12,15H,1-4,7-11,13-14H2,(H,24,30)(H,25,31)/t15-/m0/s1

InChI Key

OVOHTVMRCOYTTR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14968848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.251

Distribution Coefficient, logD

-0.990

Water Solubility, LogSw

-2.40

Polar Surface Area

109.134

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

F864-0781 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 F864-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F864-0781?
Check Price and Availability of F864-0781, 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 F864-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F864-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F864-0781
  • 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 F864-0781 available by request