L061-0480 Screening compound: 5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

L061-0480 Screening compound: 5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
L061-0480 Screening compound: 5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L061-0480
5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-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

L061-0480

Molecular Formula

C18H15FN4O3S (C18 H15 FN4 O3 S)

Compound Name

5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{[(3-fluorophenyl)formamido]methyl}-N-(4-methoxyphenyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(CNC(c2cc(F)ccc2)=O)s1)=O

InChI

InChI=1S/C18H15FN4O3S/c1-26-14-7-5-13(6-8-14)21-17(25)18-23-22-15(27-18)10-20-16(24)11-3-2-4-12(19)9-11/h2-9H,10H2,1H3,(H,20,24)(H,21,25)

InChI Key

XNTACPCTKYBCBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.50

Polar Surface Area

79.286

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L061-0480 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L061-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L061-0480?
Check Price and Availability of L061-0480, 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 L061-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L061-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L061-0480
  • 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 L061-0480 available by request