F112-0417 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide

F112-0417 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide
F112-0417 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F112-0417
N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide

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

F112-0417

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide

IUPAC name

N-{2-[2-(2-phenylethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}-4-propylbenzene-1-sulfonamide

SMILES

CCCc(cc1)ccc1S(NCCn1c2ncccc2nc1CCc1ccccc1)(=O)=O

InChI

InChI=1S/C25H28N4O2S/c1-2-7-20-11-14-22(15-12-20)32(30,31)27-18-19-29-24(16-13-21-8-4-3-5-9-21)28-23-10-6-17-26-25(23)29/h3-6,8-12,14-15,17,27H,2,7,13,16,18-19H2,1H3

InChI Key

HCLUCACSXBHYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-5.55

Polar Surface Area

62.628

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F112-0417 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F112-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F112-0417?
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What is the minimum amount of F112-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F112-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F112-0417
  • 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 F112-0417 available by request