0685-0194 Screening compound: 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid

0685-0194 Screening compound: 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid
0685-0194 Screening compound: 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0685-0194
3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid

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

0685-0194

Molecular Formula

C15H17N3O4 (C15 H17 N3 O4)

Compound Name

3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid

IUPAC name

3-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)carbamoyl]propanoic acid

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CCC(O)=O)=O

InChI

InChI=1S/C15H17N3O4/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)

InChI Key

STFOYVGOXBPLTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00181643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.661

Distribution Coefficient, logD

-3.610

Water Solubility, LogSw

-1.30

Polar Surface Area

72.153

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

0685-0194 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 0685-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0685-0194?
Check Price and Availability of 0685-0194, 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 0685-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0685-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0685-0194
  • 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 0685-0194 available by request