L868-0162 Screening compound: N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide

L868-0162 Screening compound: N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide
L868-0162 Screening compound: N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L868-0162
N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}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

L868-0162

Molecular Formula

C18H21BrN4O2 (C18 H21 BrN4 O2)

Compound Name

N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide

IUPAC name

N-(2-bromo-4-methylphenyl)-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide

SMILES

Cc(cc1)cc(Br)c1NC(COc1nc(N2CCCC2)nc(C)c1)=O

InChI

InChI=1S/C18H21BrN4O2/c1-12-5-6-15(14(19)9-12)21-16(24)11-25-17-10-13(2)20-18(22-17)23-7-3-4-8-23/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,24)

InChI Key

QXRDYAFJTFAPHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.16

Polar Surface Area

50.941

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

L868-0162 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L868-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L868-0162?
Check Price and Availability of L868-0162, 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 L868-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L868-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L868-0162
  • 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 L868-0162 available by request