8012-8139 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N~1~-(2-pyrimidinyl)propanamide

8012-8139 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N~1~-(2-pyrimidinyl)propanamide
8012-8139 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N~1~-(2-pyrimidinyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8139
2-(4-chlorophenoxy)-2-methyl-N~1~-(2-pyrimidinyl)propanamide

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

8012-8139

Molecular Formula

C14H14ClN3O2 (C14 H14 ClN3 O2)

Compound Name

2-(4-chlorophenoxy)-2-methyl-N~1~-(2-pyrimidinyl)propanamide

IUPAC name

2-(4-chlorophenoxy)-2-methyl-N-(pyrimidin-2-yl)propanamide

SMILES

CC(C)(C(Nc1ncccn1)=O)Oc(cc1)ccc1Cl

InChI

InChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19)

InChI Key

YEQSESIAZAQEST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-3.14

Polar Surface Area

50.119

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8012-8139 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-8139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8139?
Check Price and Availability of 8012-8139, 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 8012-8139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8139
  • 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 8012-8139 available by request