8016-6780 Screening compound: ethyl 2-(5-{[2-(4-chlorophenoxy)acetyl]amino}-3-methyl-1H-pyrazol-1-yl)acetate

8016-6780 Screening compound: ethyl 2-(5-{[2-(4-chlorophenoxy)acetyl]amino}-3-methyl-1H-pyrazol-1-yl)acetate
8016-6780 Screening compound: ethyl 2-(5-{[2-(4-chlorophenoxy)acetyl]amino}-3-methyl-1H-pyrazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6780
ethyl 2-(5-{[2-(4-chlorophenoxy)acetyl]amino}-3-methyl-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

8016-6780

Molecular Formula

C16H18ClN3O4 (C16 H18 ClN3 O4)

Compound Name

ethyl 2-(5-{[2-(4-chlorophenoxy)acetyl]amino}-3-methyl-1H-pyrazol-1-yl)acetate

IUPAC name

ethyl 2-{5-[2-(4-chlorophenoxy)acetamido]-3-methyl-1H-pyrazol-1-yl}acetate

SMILES

CCOC(Cn1nc(C)cc1NC(COc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C16H18ClN3O4/c1-3-23-16(22)9-20-14(8-11(2)19-20)18-15(21)10-24-13-6-4-12(17)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,18,21)

InChI Key

RFQQCEVEPYZCHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-3.21

Polar Surface Area

65.151

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with 8016-6780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6780?
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What is the minimum amount of 8016-6780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6780
  • 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 8016-6780 available by request