P130-0655 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

P130-0655 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea
P130-0655 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P130-0655
3-(2H-1,3-benzodioxol-5-yl)-1-{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

P130-0655

Molecular Formula

C22H21N5O3S (C22 H21 N5 O3 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-{3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}urea

SMILES

O=C(Nc(cc1)cc2c1OCO2)Nc1cccc(-c2nccnc2N2CCSCC2)c1

InChI

InChI=1S/C22H21N5O3S/c28-22(26-17-4-5-18-19(13-17)30-14-29-18)25-16-3-1-2-15(12-16)20-21(24-7-6-23-20)27-8-10-31-11-9-27/h1-7,12-13H,8-11,14H2,(H2,25,26,28)

InChI Key

UFUYVWTVRZCHPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

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

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.29

Polar Surface Area

71.637

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P130-0655 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with P130-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P130-0655?
Check Price and Availability of P130-0655, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P130-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P130-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P130-0655
  • 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 P130-0655 available by request