C660-0080 Screening compound: N-{2-[CYCLOHEXYL(METHYL)AMINO]ETHYL}-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE

C660-0080 Screening compound: N-{2-[CYCLOHEXYL(METHYL)AMINO]ETHYL}-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE
C660-0080 Screening compound: N-{2-[CYCLOHEXYL(METHYL)AMINO]ETHYL}-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0080
N-{2-[CYCLOHEXYL(METHYL)AMINO]ETHYL}-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-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

C660-0080

Molecular Formula

C22H27FN4OS (C22 H27 FN4 OS)

Compound Name

N-{2-[CYCLOHEXYL(METHYL)AMINO]ETHYL}-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE

IUPAC name

N-{2-[cyclohexyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CN(CCNC(c1cc(c(-c(cccc2)c2F)nn2C)c2s1)=O)C1CCCCC1

InChI

InChI=1S/C22H27FN4OS/c1-26(15-8-4-3-5-9-15)13-12-24-21(28)19-14-17-20(25-27(2)22(17)29-19)16-10-6-7-11-18(16)23/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,24,28)

InChI Key

CFFSUAXOCBCNMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-3.87

Polar Surface Area

42.649

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

C660-0080 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C660-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0080?
Check Price and Availability of C660-0080, 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 C660-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0080
  • 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 C660-0080 available by request