P637-0450 Screening compound: 3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

P637-0450 Screening compound: 3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea
P637-0450 Screening compound: 3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P637-0450
3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

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

P637-0450

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

IUPAC name

3-ethyl-1-(6-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

SMILES

CCNC(Nc(cc1)cnc1OCC(N(CC1)CCN1c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C21H27N5O3/c1-3-22-21(28)24-17-7-8-19(23-14-17)29-15-20(27)26-11-9-25(10-12-26)18-6-4-5-16(2)13-18/h4-8,13-14H,3,9-12,15H2,1-2H3,(H2,22,24,28)

InChI Key

BDQQLPIGPGOESM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.74

Polar Surface Area

69.679

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P637-0450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P637-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P637-0450?
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What is the minimum amount of P637-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P637-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P637-0450
  • 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 P637-0450 available by request