C878-0412 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide

C878-0412 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
C878-0412 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0412
4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)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

C878-0412

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn2c(SCc(cc3)ccc3C(NCC3OCCC3)=O)nc3c2cncc3)cc1

InChI

InChI=1S/C27H28N4O3S/c1-33-22-10-6-19(7-11-22)17-31-25-16-28-13-12-24(25)30-27(31)35-18-20-4-8-21(9-5-20)26(32)29-15-23-3-2-14-34-23/h4-13,16,23H,2-3,14-15,17-18H2,1H3,(H,29,32)/t23-/m1/s1

InChI Key

JOKGTMIDENFFSP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14802903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.59

Polar Surface Area

60.607

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C878-0412 in Drug Discovery

Included in Screening Libraries

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

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 C878-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0412?
Check Price and Availability of C878-0412, 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 C878-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0412
  • 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 C878-0412 available by request