P130-0654 Screening compound: 1-(2,4-difluorophenyl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

P130-0654 Screening compound: 1-(2,4-difluorophenyl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea
P130-0654 Screening compound: 1-(2,4-difluorophenyl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P130-0654
1-(2,4-difluorophenyl)-3-{3-[3-(thiomorpholin-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

P130-0654

Molecular Formula

C21H19F2N5OS (C21 H19 F2 N5 OS)

Compound Name

1-(2,4-difluorophenyl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

IUPAC name

1-(24-difluorophenyl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

SMILES

O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C21H19F2N5OS/c22-15-4-5-18(17(23)13-15)27-21(29)26-16-3-1-2-14(12-16)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

NPCVCLZSYJQTFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.31

Polar Surface Area

53.824

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P130-0654 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P130-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P130-0654?
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What is the minimum amount of P130-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P130-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P130-0654
  • 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 P130-0654 available by request