F912-0149 Screening compound: N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide

F912-0149 Screening compound: N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
F912-0149 Screening compound: N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0149
N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-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

F912-0149

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5-(phenoxymethyl)-134-thiadiazole-2-carboxamide

SMILES

Cc1ccc(CNC(c2cccc(NC(c3nnc(COc4ccccc4)s3)=O)c2)=O)cc1

InChI

InChI=1S/C25H22N4O3S/c1-17-10-12-18(13-11-17)15-26-23(30)19-6-5-7-20(14-19)27-24(31)25-29-28-22(33-25)16-32-21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,26,30)(H,27,31)

InChI Key

DDFWZMBQEPDPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.29

Polar Surface Area

78.970

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F912-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0149?
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What is the minimum amount of F912-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0149
  • 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 F912-0149 available by request