S055-1639 Screening compound: N,1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-sulfonamide

S055-1639 Screening compound: N,1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-sulfonamide
S055-1639 Screening compound: N,1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-1639
N,1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-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

S055-1639

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

N,1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-sulfonamide

IUPAC name

N1-dimethyl-N-[(2-phenoxypyridin-3-yl)methyl]-1H-imidazole-4-sulfonamide

SMILES

CN(Cc(cccn1)c1Oc1ccccc1)S(c1cn(C)cn1)(=O)=O

InChI

InChI=1S/C17H18N4O3S/c1-20-12-16(19-13-20)25(22,23)21(2)11-14-7-6-10-18-17(14)24-15-8-4-3-5-9-15/h3-10,12-13H,11H2,1-2H3

InChI Key

FBHMILRBKPFSLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.37

Polar Surface Area

61.767

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

S055-1639 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S055-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-1639?
Check Price and Availability of S055-1639, 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 S055-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-1639
  • 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 S055-1639 available by request