P130-0533 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}urea

P130-0533 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}urea
P130-0533 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P130-0533
1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}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

P130-0533

Molecular Formula

C21H19ClFN5O2 (C21 H19 ClFN5 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}urea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-{3-[3-(morpholin-4-yl)pyrazin-2-yl]phenyl}urea

SMILES

O=C(Nc1cc(-c2nccnc2N2CCOCC2)ccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H19ClFN5O2/c22-17-13-16(4-5-18(17)23)27-21(29)26-15-3-1-2-14(12-15)19-20(25-7-6-24-19)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,26,27,29)

InChI Key

GQAUABUZUFBBCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-5.02

Polar Surface Area

62.430

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P130-0533 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P130-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P130-0533?
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What is the minimum amount of P130-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P130-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P130-0533
  • 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 P130-0533 available by request