C797-0107 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-4-phenylpiperazine

C797-0107 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-4-phenylpiperazine
C797-0107 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0107
1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoyl}-4-phenylpiperazine

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

C797-0107

Molecular Formula

C31H28FN5OS (C31 H28 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C31H28FN5OS/c32-26-12-8-23(9-13-26)21-37-29-20-33-15-14-28(29)34-31(37)39-22-24-6-10-25(11-7-24)30(38)36-18-16-35(17-19-36)27-4-2-1-3-5-27/h1-15,20H,16-19,21-22H2

InChI Key

JWBZBDQMNVQWNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.14

Polar Surface Area

39.904

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

C797-0107 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0107?
Check Price and Availability of C797-0107, 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 C797-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0107
  • 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 C797-0107 available by request