C875-0327 Screening compound: N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)butanamide

C875-0327 Screening compound: N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)butanamide
C875-0327 Screening compound: N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0327
N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)butanamide

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

C875-0327

Molecular Formula

C21H25FN4OS (C21 H25 FN4 OS)

Compound Name

N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)butanamide

IUPAC name

N-butyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)butanamide

SMILES

CCCCNC(C(CC)n1c(SCc2cc(F)ccc2)nc2c1cncc2)=O

InChI

InChI=1S/C21H25FN4OS/c1-3-5-10-24-20(27)18(4-2)26-19-13-23-11-9-17(19)25-21(26)28-14-15-7-6-8-16(22)12-15/h6-9,11-13,18H,3-5,10,14H2,1-2H3,(H,24,27)/t18-/m0/s1

InChI Key

ZVVQMOWBYHYZQZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14802338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.28

Polar Surface Area

45.073

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C875-0327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Nucleic Acid Ligands (8311 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C875-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0327?
Check Price and Availability of C875-0327, 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 C875-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0327
  • 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 C875-0327 available by request