F864-0541 Screening compound: N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxamide

F864-0541 Screening compound: N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxamide
F864-0541 Screening compound: N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F864-0541
N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]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

F864-0541

Molecular Formula

C21H27N5O4S (C21 H27 N5 O4 S)

Compound Name

N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxamide

IUPAC name

N-(3-ethoxypropyl)-1-[5-(phenylcarbamoyl)-134-thiadiazole-2-carbonyl]piperidine-3-carboxamide

SMILES

CCOCCCNC(C(CCC1)CN1C(c1nnc(C(Nc2ccccc2)=O)s1)=O)=O

InChI

InChI=1S/C21H27N5O4S/c1-2-30-13-7-11-22-17(27)15-8-6-12-26(14-15)21(29)20-25-24-19(31-20)18(28)23-16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3,(H,22,27)(H,23,28)/t15-/m0/s1

InChI Key

GDVMJFNPLFKKPX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27200501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.26

Polar Surface Area

95.919

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

F864-0541 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with F864-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F864-0541?
Check Price and Availability of F864-0541, 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 F864-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F864-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F864-0541
  • 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 F864-0541 available by request