1155-0069 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-yl)thiourea

1155-0069 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-yl)thiourea
1155-0069 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1155-0069
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-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

1155-0069

Molecular Formula

C16H20N4OS (C16 H20 N4 OS)

Compound Name

1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-yl)thiourea

IUPAC name

1-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-3-(2-methylprop-2-en-1-yl)thiourea

SMILES

CC(CNC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=S)=C

InChI

InChI=1S/C16H20N4OS/c1-11(2)10-17-16(22)18-14-12(3)19(4)20(15(14)21)13-8-6-5-7-9-13/h5-9H,1,10H2,2-4H3,(H2,17,18,22)

InChI Key

PXIVHGPQMIGXBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-2.05

Polar Surface Area

41.036

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1155-0069 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1155-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1155-0069?
Check Price and Availability of 1155-0069, 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 1155-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1155-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1155-0069
  • 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 1155-0069 available by request