P018-1105 Screening compound: N-({5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

P018-1105 Screening compound: N-({5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
P018-1105 Screening compound: N-({5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P018-1105
N-({5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-2,3-dihydro-1,4-benzodioxine-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

P018-1105

Molecular Formula

C20H15N3O4S2 (C20 H15 N3 O4 S2)

Compound Name

N-({5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-({5-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]thiophen-2-yl}methyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)NCc1ccc(-c2nc(-c3cccs3)no2)s1

InChI

InChI=1S/C20H15N3O4S2/c24-19(15-11-25-13-4-1-2-5-14(13)26-15)21-10-12-7-8-17(29-12)20-22-18(23-27-20)16-6-3-9-28-16/h1-9,15H,10-11H2,(H,21,24)/t15-/m0/s1

InChI Key

STPVDEFELPOKRI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27558728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.47

Polar Surface Area

73.531

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

P018-1105 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P018-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P018-1105?
Check Price and Availability of P018-1105, 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 P018-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P018-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P018-1105
  • 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 P018-1105 available by request