F863-0726 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

F863-0726 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
F863-0726 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,6-dimethylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F863-0726
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,6-dimethylphenyl)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

F863-0726

Molecular Formula

C25H25N5O5S (C25 H25 N5 O5 S)

Compound Name

1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

IUPAC name

1-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazole-2-carbonyl}-N-(26-dimethylphenyl)piperidine-4-carboxamide

SMILES

Cc1cccc(C)c1NC(C(CC1)CCN1C(c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)=O

InChI

InChI=1S/C25H25N5O5S/c1-14-4-3-5-15(2)20(14)27-21(31)16-8-10-30(11-9-16)25(33)24-29-28-23(36-24)22(32)26-17-6-7-18-19(12-17)35-13-34-18/h3-7,12,16H,8-11,13H2,1-2H3,(H,26,32)(H,27,31)

InChI Key

OKCZNFZNUMKQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.11

Polar Surface Area

102.293

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F863-0726 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 F863-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F863-0726?
Check Price and Availability of F863-0726, 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 F863-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F863-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F863-0726
  • 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 F863-0726 available by request