D398-0171 Screening compound: 2-(4-chlorophenyl)-1-{pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidine

D398-0171 Screening compound: 2-(4-chlorophenyl)-1-{pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidine
D398-0171 Screening compound: 2-(4-chlorophenyl)-1-{pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0171
2-(4-chlorophenyl)-1-{pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidine

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

D398-0171

Molecular Formula

C17H15ClN4O (C17 H15 ClN4 O)

Compound Name

2-(4-chlorophenyl)-1-{pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidine

IUPAC name

2-(4-chlorophenyl)-1-{pyrazolo[15-a]pyrimidine-3-carbonyl}pyrrolidine

SMILES

O=C(c1c2ncccn2nc1)N(CCC1)C1c(cc1)ccc1Cl

InChI

InChI=1S/C17H15ClN4O/c18-13-6-4-12(5-7-13)15-3-1-9-21(15)17(23)14-11-20-22-10-2-8-19-16(14)22/h2,4-8,10-11,15H,1,3,9H2/t15-/m0/s1

InChI Key

MZYDUDQMBFJMIX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14826376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-3.15

Polar Surface Area

37.680

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D398-0171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0171?
Check Price and Availability of D398-0171, 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 D398-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0171
  • 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 D398-0171 available by request