C737-1652 Screening compound: N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

C737-1652 Screening compound: N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide
C737-1652 Screening compound: N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-1652
N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

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

C737-1652

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

IUPAC name

N-(2-phenylethyl)-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c2cccc3cccnc23)(=O)=O)CC1)NCCc1ccccc1

InChI

InChI=1S/C25H29N3O3S/c29-25(27-17-15-19-6-2-1-3-7-19)22-13-11-20(12-14-22)18-28-32(30,31)23-10-4-8-21-9-5-16-26-24(21)23/h1-10,16,20,22,28H,11-15,17-18H2,(H,27,29)

InChI Key

CDFBFLFRHJUDJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.29

Polar Surface Area

75.977

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C737-1652 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C737-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-1652?
Check Price and Availability of C737-1652, 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 C737-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-1652
  • 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 C737-1652 available by request