F912-0446 Screening compound: 5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

F912-0446 Screening compound: 5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
F912-0446 Screening compound: 5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0446
5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-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

F912-0446

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 S)

Compound Name

5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(3-methylphenoxy)methyl]-N-(3-{[2-(piperidin-1-yl)ethyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

Cc1cccc(OCc2nnc(C(Nc3cc(C(NCCN4CCCCC4)=O)ccc3)=O)s2)c1

InChI

InChI=1S/C25H29N5O3S/c1-18-7-5-10-21(15-18)33-17-22-28-29-25(34-22)24(32)27-20-9-6-8-19(16-20)23(31)26-11-14-30-12-3-2-4-13-30/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,31)(H,27,32)

InChI Key

BBYSHGFATCQGFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

2.748

Water Solubility, LogSw

-3.74

Polar Surface Area

82.794

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F912-0446 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F912-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0446?
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What is the minimum amount of F912-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0446
  • 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 F912-0446 available by request