M476-0418 Screening compound: (2-ethyl-4-phenyl-5-pyrimidinyl)(1-pyrrolidinyl)methanone

M476-0418 Screening compound: (2-ethyl-4-phenyl-5-pyrimidinyl)(1-pyrrolidinyl)methanone
M476-0418 Screening compound: (2-ethyl-4-phenyl-5-pyrimidinyl)(1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M476-0418
(2-ethyl-4-phenyl-5-pyrimidinyl)(1-pyrrolidinyl)methanone

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

M476-0418

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

(2-ethyl-4-phenyl-5-pyrimidinyl)(1-pyrrolidinyl)methanone

IUPAC name

n/a

SMILES

CCc(nc1)nc(-c2ccccc2)c1C(N1CCCC1)=O

InChI

InChI=1S/C17H19N3O/c1-2-15-18-12-14(17(21)20-10-6-7-11-20)16(19-15)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3

InChI Key

BQROCXDJQLXQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.85

Polar Surface Area

37.835

Acid Dissociation Constant (pKa)

26.63

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

M476-0418 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M476-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M476-0418?
Check Price and Availability of M476-0418, 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 M476-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M476-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M476-0418
  • 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 M476-0418 available by request