P637-0451 Screening compound: 3-ethyl-1-(6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea

P637-0451 Screening compound: 3-ethyl-1-(6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea
P637-0451 Screening compound: 3-ethyl-1-(6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}pyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P637-0451
3-ethyl-1-(6-{2-[4-(2-fluorophenyl)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

P637-0451

Molecular Formula

C20H24FN5O3 (C20 H24 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCNC(Nc(cc1)cnc1OCC(N(CC1)CCN1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C20H24FN5O3/c1-2-22-20(28)24-15-7-8-18(23-13-15)29-14-19(27)26-11-9-25(10-12-26)17-6-4-3-5-16(17)21/h3-8,13H,2,9-12,14H2,1H3,(H2,22,24,28)

InChI Key

AJZBFQUSQZPPIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

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

2.314

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-2.70

Polar Surface Area

69.378

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P637-0451 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 P637-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P637-0451?
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What is the minimum amount of P637-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P637-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P637-0451
  • 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 P637-0451 available by request