4138-0256 Screening compound: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one

4138-0256 Screening compound: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one
4138-0256 Screening compound: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4138-0256
2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one

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

4138-0256

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one

IUPAC name

2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(5-methoxy-12-dimethyl-1H-indol-3-yl)ethan-1-one

SMILES

CCOCc1cnc(C)nc1NCC(c1c(C)n(C)c(cc2)c1cc2OC)=O

InChI

InChI=1S/C21H26N4O3/c1-6-28-12-15-10-22-14(3)24-21(15)23-11-19(26)20-13(2)25(4)18-8-7-16(27-5)9-17(18)20/h7-10H,6,11-12H2,1-5H3,(H,22,23,24)

InChI Key

HUYQSJDFPUAWJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01021130

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-2.78

Polar Surface Area

60.950

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4138-0256 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4138-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4138-0256?
Check Price and Availability of 4138-0256, 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 4138-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4138-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4138-0256
  • 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 4138-0256 available by request