F154-0608 Screening compound: 4-[(2-{[(4-methoxyphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

F154-0608 Screening compound: 4-[(2-{[(4-methoxyphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
F154-0608 Screening compound: 4-[(2-{[(4-methoxyphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F154-0608
4-[(2-{[(4-methoxyphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-{[4-(methylsulfanyl)phenyl]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

F154-0608

Molecular Formula

C30H28N4O2S2 (C30 H28 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2C(NCc(cc2)ccc2SC)=O)cc1

InChI

InChI=1S/C30H28N4O2S2/c1-36-25-11-5-23(6-12-25)20-38-30-33-27-15-16-31-18-28(27)34(30)19-22-3-9-24(10-4-22)29(35)32-17-21-7-13-26(37-2)14-8-21/h3-16,18H,17,19-20H2,1-2H3,(H,32,35)

InChI Key

ZXSOMCUDTGSMND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14943688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.762

Distribution Coefficient, logD

5.759

Water Solubility, LogSw

-5.21

Polar Surface Area

51.952

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F154-0608 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F154-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F154-0608?
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What is the minimum amount of F154-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F154-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F154-0608
  • 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 F154-0608 available by request