P637-0454 Screening compound: 3-ethyl-1-(6-{2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

P637-0454 Screening compound: 3-ethyl-1-(6-{2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea
P637-0454 Screening compound: 3-ethyl-1-(6-{2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P637-0454
3-ethyl-1-(6-{2-[4-(2-methylpropyl)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

P637-0454

Molecular Formula

C18H29N5O3 (C18 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(Nc(cc1)cnc1OCC(N1CCN(CC(C)C)CC1)=O)=O

InChI

InChI=1S/C18H29N5O3/c1-4-19-18(25)21-15-5-6-16(20-11-15)26-13-17(24)23-9-7-22(8-10-23)12-14(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H2,19,21,25)

InChI Key

RGSWISQSYKEGOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.298

Water Solubility, LogSw

-2.06

Polar Surface Area

70.231

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

P637-0454 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 P637-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P637-0454?
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What is the minimum amount of P637-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P637-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P637-0454
  • 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 P637-0454 available by request