D023-0016 Screening compound: (2-chlorophenyl){3-[3-(2-furylmethyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone

D023-0016 Screening compound: (2-chlorophenyl){3-[3-(2-furylmethyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone
D023-0016 Screening compound: (2-chlorophenyl){3-[3-(2-furylmethyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0016
(2-chlorophenyl){3-[3-(2-furylmethyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone

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

D023-0016

Molecular Formula

C21H19ClN6O3 (C21 H19 ClN6 O3)

Compound Name

(2-chlorophenyl){3-[3-(2-furylmethyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone

IUPAC name

5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(furan-2-yl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc3ccco3)c2nc(C(CCC2)CN2C(c(cccc2)c2Cl)=O)n1

InChI

InChI=1S/C21H19ClN6O3/c22-16-8-2-1-7-15(16)21(30)27-9-3-5-13(11-27)18-23-19-17(20(29)24-18)25-26-28(19)12-14-6-4-10-31-14/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,23,24,29)/t13-/m0/s1

InChI Key

LHVVARDBLAJLQK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14810977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-2.99

Polar Surface Area

86.884

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

D023-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D023-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0016?
Check Price and Availability of D023-0016, 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 D023-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0016
  • 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 D023-0016 available by request