D175-0116 Screening compound: 4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

D175-0116 Screening compound: 4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
D175-0116 Screening compound: 4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0116
4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-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

D175-0116

Molecular Formula

C19H20FN5O3 (C19 H20 FN5 O3)

Compound Name

4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-{2-[({2-[(4-fluorophenyl)methoxy]phenyl}methyl)amino]ethyl}-125-oxadiazole-3-carboxamide

SMILES

Nc1nonc1C(NCCNCc(cccc1)c1OCc(cc1)ccc1F)=O

InChI

InChI=1S/C19H20FN5O3/c20-15-7-5-13(6-8-15)12-27-16-4-2-1-3-14(16)11-22-9-10-23-19(26)17-18(21)25-28-24-17/h1-8,22H,9-12H2,(H2,21,25)(H,23,26)

InChI Key

OWQPLXLYXNKWCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611062

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.59

Polar Surface Area

100.771

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D175-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D175-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0116?
Check Price and Availability of D175-0116, 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 D175-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0116
  • 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 D175-0116 available by request