8016-4467 Screening compound: ethyl 2-[4-(5-chloro-2-methoxybenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate

8016-4467 Screening compound: ethyl 2-[4-(5-chloro-2-methoxybenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate
8016-4467 Screening compound: ethyl 2-[4-(5-chloro-2-methoxybenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4467
ethyl 2-[4-(5-chloro-2-methoxybenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate

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

8016-4467

Molecular Formula

C17H20ClN3O4 (C17 H20 ClN3 O4)

Compound Name

ethyl 2-[4-(5-chloro-2-methoxybenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate

IUPAC name

ethyl 2-[4-(5-chloro-2-methoxybenzamido)-35-dimethyl-1H-pyrazol-1-yl]acetate

SMILES

CCOC(Cn1nc(C)c(NC(c(cc(cc2)Cl)c2OC)=O)c1C)=O

InChI

InChI=1S/C17H20ClN3O4/c1-5-25-15(22)9-21-11(3)16(10(2)20-21)19-17(23)13-8-12(18)6-7-14(13)24-4/h6-8H,5,9H2,1-4H3,(H,19,23)

InChI Key

GMFCCVYSKOFTJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.808

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-3.04

Polar Surface Area

64.276

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8016-4467 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-4467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4467?
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What is the minimum amount of 8016-4467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4467
  • 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 8016-4467 available by request