8020-8486 Screening compound: ethyl 2-{4-[3-amino-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate

8020-8486 Screening compound: ethyl 2-{4-[3-amino-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
8020-8486 Screening compound: ethyl 2-{4-[3-amino-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8486
ethyl 2-{4-[3-amino-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-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

8020-8486

Molecular Formula

C18H23N3O6 (C18 H23 N3 O6)

Compound Name

ethyl 2-{4-[3-amino-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate

IUPAC name

ethyl 2-{4-[2-carbamoyl-1-(34-dimethoxyphenyl)ethyl]-5-oxo-25-dihydro-1H-pyrazol-3-yl}acetate

SMILES

CCOC(CC(NN1)=C(C(CC(N)=O)c(cc2)cc(OC)c2OC)C1=O)=O

InChI

InChI=1S/C18H23N3O6/c1-4-27-16(23)9-12-17(18(24)21-20-12)11(8-15(19)22)10-5-6-13(25-2)14(7-10)26-3/h5-7,11H,4,8-9H2,1-3H3,(H2,19,22)(H2,20,21,24)/t11-/m1/s1

InChI Key

BKZFNWRQSNLQMK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD30711681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.120

Distribution Coefficient, logD

0.120

Water Solubility, LogSw

-1.93

Polar Surface Area

110.335

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with 8020-8486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8486?
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What is the minimum amount of 8020-8486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8486
  • 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 8020-8486 available by request