C878-1968 Screening compound: 1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-3,5-dimethylpiperidine

C878-1968 Screening compound: 1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-3,5-dimethylpiperidine
C878-1968 Screening compound: 1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-1968
1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-3,5-dimethylpiperidine

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

C878-1968

Molecular Formula

C28H29FN4OS (C28 H29 FN4 OS)

Compound Name

1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-3,5-dimethylpiperidine

IUPAC name

1-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]benzoyl}-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2cncc3)cc1)=O

InChI

InChI=1S/C28H29FN4OS/c1-19-13-20(2)16-32(15-19)27(34)23-7-3-21(4-8-23)17-33-26-14-30-12-11-25(26)31-28(33)35-18-22-5-9-24(29)10-6-22/h3-12,14,19-20H,13,15-18H2,1-2H3

InChI Key

OSVXOTJPBIQURY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

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

5.386

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.17

Polar Surface Area

36.510

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with C878-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-1968
  • 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 C878-1968 available by request