C797-1549 Screening compound: N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-1549 Screening compound: N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-1549 Screening compound: N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1549
N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

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

C797-1549

Molecular Formula

C29H25FN4O2S (C29 H25 FN4 O2 S)

Compound Name

N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-[(2-fluorophenyl)methyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]benzamide

SMILES

COc1ccc(Cn2c(SCc(cc3)ccc3C(NCc(cccc3)c3F)=O)nc3c2nccc3)cc1

InChI

InChI=1S/C29H25FN4O2S/c1-36-24-14-10-20(11-15-24)18-34-27-26(7-4-16-31-27)33-29(34)37-19-21-8-12-22(13-9-21)28(35)32-17-23-5-2-3-6-25(23)30/h2-16H,17-19H2,1H3,(H,32,35)

InChI Key

XFUKKXOBODNAFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.36

Polar Surface Area

52.341

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C797-1549 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C797-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1549?
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What is the minimum amount of C797-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1549
  • 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 C797-1549 available by request