8018-5083 Screening compound: 2-bicyclo[2.2.1]hept-2-yl-N~1~-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide

8018-5083 Screening compound: 2-bicyclo[2.2.1]hept-2-yl-N~1~-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide
8018-5083 Screening compound: 2-bicyclo[2.2.1]hept-2-yl-N~1~-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5083
2-bicyclo[2.2.1]hept-2-yl-N~1~-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide

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

8018-5083

Molecular Formula

C18H20ClN3O (C18 H20 ClN3 O)

Compound Name

2-bicyclo[2.2.1]hept-2-yl-N~1~-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide

IUPAC name

2-{bicyclo[2.2.1]heptan-2-yl}-N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]acetamide

SMILES

O=C(CC1C(CC2)CC2C1)Nc(cc1)ccc1-n1ncc(Cl)c1

InChI

InChI=1S/C18H20ClN3O/c19-15-10-20-22(11-15)17-5-3-16(4-6-17)21-18(23)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,21,23)

InChI Key

FVBBLHQSYGQVBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08336252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.51

Polar Surface Area

38.318

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.44

8018-5083 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5083?
Check Price and Availability of 8018-5083, 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 8018-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5083
  • 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 8018-5083 available by request