F912-0896 Screening compound: N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide

F912-0896 Screening compound: N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
F912-0896 Screening compound: N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0896
N-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)phenyl]-5-(methoxymethyl)-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

F912-0896

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(CNC(c2cccc(NC(c3nnc(COC)s3)=O)c2)=O)cc1

InChI

InChI=1S/C21H23N5O3S/c1-26(2)17-9-7-14(8-10-17)12-22-19(27)15-5-4-6-16(11-15)23-20(28)21-25-24-18(30-21)13-29-3/h4-11H,12-13H2,1-3H3,(H,22,27)(H,23,28)

InChI Key

LBKODNWSFMKCJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.99

Polar Surface Area

82.971

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F912-0896 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F912-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0896?
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What is the minimum amount of F912-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0896
  • 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 F912-0896 available by request