8010-3773 Screening compound: N~2~-{4-[(4-benzylpiperidino)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-furamide

8010-3773 Screening compound: N~2~-{4-[(4-benzylpiperidino)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-furamide
8010-3773 Screening compound: N~2~-{4-[(4-benzylpiperidino)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3773
N~2~-{4-[(4-benzylpiperidino)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-furamide

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

8010-3773

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

N~2~-{4-[(4-benzylpiperidino)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-furamide

IUPAC name

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenyl-1H-pyrazol-5-yl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc(n(-c1ccccc1)nc1)c1C(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C27H26N4O3/c32-26(24-12-7-17-34-24)29-25-23(19-28-31(25)22-10-5-2-6-11-22)27(33)30-15-13-21(14-16-30)18-20-8-3-1-4-9-20/h1-12,17,19,21H,13-16,18H2,(H,29,32)

InChI Key

PKQAWOJRLSLUJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.56

Polar Surface Area

62.022

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8010-3773 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8010-3773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3773?
Check Price and Availability of 8010-3773, 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 8010-3773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3773
  • 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 8010-3773 available by request