3886-0650 Screening compound: N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-1-sulfonamide

3886-0650 Screening compound: N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-1-sulfonamide
3886-0650 Screening compound: N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0650
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-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

3886-0650

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-1-sulfonamide

IUPAC name

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(3-methylbutyl)benzene-1-sulfonamide

SMILES

CC(C)CCN(c1nc(OC)cc(C)n1)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C18H25N3O3S/c1-13(2)10-11-21(18-19-15(4)12-17(20-18)24-5)25(22,23)16-8-6-14(3)7-9-16/h6-9,12-13H,10-11H2,1-5H3

InChI Key

IQLWYIJBUOUAJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.18

Polar Surface Area

56.791

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3886-0650 in Drug Discovery

Included in Screening Libraries

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3886-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0650?
Check Price and Availability of 3886-0650, 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 3886-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0650
  • 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 3886-0650 available by request