F863-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-4-carboxamide

F863-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-4-carboxamide
F863-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F863-0745
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-4-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

F863-0745

Molecular Formula

C22H27N5O5S (C22 H27 N5 O5 S)

Compound Name

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

IUPAC name

1-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-4-carboxamide

SMILES

CC(C)CCNC(C(CC1)CCN1C(c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)=O

InChI

InChI=1S/C22H27N5O5S/c1-13(2)5-8-23-18(28)14-6-9-27(10-7-14)22(30)21-26-25-20(33-21)19(29)24-15-3-4-16-17(11-15)32-12-31-16/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,23,28)(H,24,29)

InChI Key

STZGAHHBBUCRLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-3.08

Polar Surface Area

105.124

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F863-0745 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F863-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F863-0745?
Check Price and Availability of F863-0745, 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 F863-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F863-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F863-0745
  • 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 F863-0745 available by request