0783-0179 Screening compound: 1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

0783-0179 Screening compound: 1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
0783-0179 Screening compound: 1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0783-0179
1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

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

0783-0179

Molecular Formula

C25H23N5O3S2 (C25 H23 N5 O3 S2)

Compound Name

1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

IUPAC name

1-[(Z)-[(benzenesulfonyl)imino](phenyl)methyl]-3-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)thiourea

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)=S

InChI

InChI=1S/C25H23N5O3S2/c1-18-22(24(31)30(29(18)2)20-14-8-4-9-15-20)26-25(34)27-23(19-12-6-3-7-13-19)28-35(32,33)21-16-10-5-11-17-21/h3-17H,1-2H3,(H2,26,27,28,34)

InChI Key

TVZKMJSWTIHPKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.55

Polar Surface Area

78.980

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

0783-0179 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0783-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0783-0179?
Check Price and Availability of 0783-0179, 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 0783-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0783-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0783-0179
  • 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 0783-0179 available by request