P130-0650 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

P130-0650 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea
P130-0650 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P130-0650
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

P130-0650

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

SMILES

O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H23N5O3S/c29-23(27-18-4-5-19-20(15-18)31-11-10-30-19)26-17-3-1-2-16(14-17)21-22(25-7-6-24-21)28-8-12-32-13-9-28/h1-7,14-15H,8-13H2,(H2,26,27,29)

InChI Key

XSSNHXYFMPSCRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.66

Polar Surface Area

70.345

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

P130-0650 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P130-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P130-0650?
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What is the minimum amount of P130-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P130-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P130-0650
  • 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 P130-0650 available by request