L061-0283 Screening compound: N~3~-({5-[(3-chloroanilino)carbonyl]-1,3,4-thiadiazol-2-yl}methyl)-5-(2-thienyl)-3-isoxazolecarboxamide

L061-0283 Screening compound: N~3~-({5-[(3-chloroanilino)carbonyl]-1,3,4-thiadiazol-2-yl}methyl)-5-(2-thienyl)-3-isoxazolecarboxamide
L061-0283 Screening compound: N~3~-({5-[(3-chloroanilino)carbonyl]-1,3,4-thiadiazol-2-yl}methyl)-5-(2-thienyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L061-0283
N~3~-({5-[(3-chloroanilino)carbonyl]-1,3,4-thiadiazol-2-yl}methyl)-5-(2-thienyl)-3-isoxazolecarboxamide

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

L061-0283

Molecular Formula

C18H12ClN5O3S2 (C18 H12 ClN5 O3 S2)

Compound Name

N~3~-({5-[(3-chloroanilino)carbonyl]-1,3,4-thiadiazol-2-yl}methyl)-5-(2-thienyl)-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

O=C(c1noc(-c2cccs2)c1)NCc1nnc(C(Nc2cccc(Cl)c2)=O)s1

InChI

InChI=1S/C18H12ClN5O3S2/c19-10-3-1-4-11(7-10)21-17(26)18-23-22-15(29-18)9-20-16(25)12-8-13(27-24-12)14-5-2-6-28-14/h1-8H,9H2,(H,20,25)(H,21,26)

InChI Key

KRDLBJLYZXIUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.39

Polar Surface Area

94.296

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L061-0283 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L061-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L061-0283?
Check Price and Availability of L061-0283, 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 L061-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L061-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L061-0283
  • 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 L061-0283 available by request