3256-0042 Screening compound: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide

3256-0042 Screening compound: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide
3256-0042 Screening compound: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3256-0042
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide

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

3256-0042

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide

IUPAC name

N-[2-(35-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(NCC(n1nc(C)cc1C)=O)=O

InChI

InChI=1S/C16H19N3O3/c1-4-22-14-7-5-13(6-8-14)16(21)17-10-15(20)19-12(3)9-11(2)18-19/h5-9H,4,10H2,1-3H3,(H,17,21)

InChI Key

NTOYCJOGDKRRIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01957428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-2.17

Polar Surface Area

58.587

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3256-0042 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3256-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3256-0042?
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What is the minimum amount of 3256-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3256-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3256-0042
  • 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 3256-0042 available by request