L868-1149 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

L868-1149 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
L868-1149 Screening compound: 2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-1149
2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

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

L868-1149

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

IUPAC name

2-{[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy}-N-[(2H-13-benzodioxol-5-yl)methyl]acetamide

SMILES

Cc1cc(OCC(NCc(cc2)cc3c2OCO3)=O)nc(N2CCCCCC2)n1

InChI

InChI=1S/C21H26N4O4/c1-15-10-20(24-21(23-15)25-8-4-2-3-5-9-25)27-13-19(26)22-12-16-6-7-17-18(11-16)29-14-28-17/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,22,26)

InChI Key

WARVVXOWYUNJDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20750337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.76

Polar Surface Area

70.041

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L868-1149 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L868-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-1149?
Check Price and Availability of L868-1149, 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 L868-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-1149
  • 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 L868-1149 available by request