5593-1885 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-ethylthiourea

5593-1885 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-ethylthiourea
5593-1885 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-ethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1885
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-ethylthiourea

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

5593-1885

Molecular Formula

C14H18N4OS (C14 H18 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCNC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=S

InChI

InChI=1S/C14H18N4OS/c1-4-15-14(20)16-12-10(2)17(3)18(13(12)19)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H2,15,16,20)

InChI Key

PHOKXAUOZZNRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.679

Distribution Coefficient, logD

0.678

Water Solubility, LogSw

-1.80

Polar Surface Area

40.662

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5593-1885 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5593-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1885?
Check Price and Availability of 5593-1885, 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 5593-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1885
  • 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 5593-1885 available by request