4901-0314 Screening compound: ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate

4901-0314 Screening compound: ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate
4901-0314 Screening compound: ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4901-0314
ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate

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

4901-0314

Molecular Formula

C14H15N3O3 (C14 H15 N3 O3)

Compound Name

ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate

IUPAC name

ethyl 4-(1-methyl-1H-pyrazole-5-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1ccnn1C)=O)=O

InChI

InChI=1S/C14H15N3O3/c1-3-20-14(19)10-4-6-11(7-5-10)16-13(18)12-8-9-15-17(12)2/h4-9H,3H2,1-2H3,(H,16,18)

InChI Key

NTDROUOWRLKCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00298605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.994

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.47

Polar Surface Area

57.734

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4901-0314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4901-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4901-0314?
Check Price and Availability of 4901-0314, 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 4901-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4901-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4901-0314
  • 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 4901-0314 available by request