4100-1670 Screening compound: 2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide

4100-1670 Screening compound: 2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide
4100-1670 Screening compound: 2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-1670
2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide

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

4100-1670

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide

IUPAC name

2-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}pentanamide

SMILES

CCCC(C)C(Nc(cc1)ccc1S(Nc1nc(C)ccn1)(=O)=O)=O

InChI

InChI=1S/C17H22N4O3S/c1-4-5-12(2)16(22)20-14-6-8-15(9-7-14)25(23,24)21-17-18-11-10-13(3)19-17/h6-12H,4-5H2,1-3H3,(H,20,22)(H,18,19,21)/t12-/m0/s1

InChI Key

VYLJKBHIINZIPE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02861552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.98

Polar Surface Area

84.195

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

4100-1670 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 4100-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-1670?
Check Price and Availability of 4100-1670, 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 4100-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-1670
  • 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 4100-1670 available by request