C875-0256 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-C]PYRIDIN-3-YL)ETHAN-1-ONE

C875-0256 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-C]PYRIDIN-3-YL)ETHAN-1-ONE
C875-0256 Screening compound: 1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-C]PYRIDIN-3-YL)ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0256
1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-C]PYRIDIN-3-YL)ETHAN-1-ONE

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

C875-0256

Molecular Formula

C22H25FN4OS (C22 H25 FN4 OS)

Compound Name

1-(2-ETHYLPIPERIDIN-1-YL)-2-(2-{[(3-FLUOROPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-C]PYRIDIN-3-YL)ETHAN-1-ONE

IUPAC name

n/a

SMILES

CCC(CCCC1)N1C(Cn1c(SCc2cc(F)ccc2)nc2c1cncc2)=O

InChI

InChI=1S/C22H25FN4OS/c1-2-18-8-3-4-11-26(18)21(28)14-27-20-13-24-10-9-19(20)25-22(27)29-15-16-6-5-7-17(23)12-16/h5-7,9-10,12-13,18H,2-4,8,11,14-15H2,1H3/t18-/m0/s1

InChI Key

MPMVOFSSDOFAHC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14802288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.01

Polar Surface Area

36.034

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C875-0256 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C875-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0256?
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What is the minimum amount of C875-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0256
  • 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 C875-0256 available by request