8017-4496 Screening compound: 1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}-1-ethanone

8017-4496 Screening compound: 1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}-1-ethanone
8017-4496 Screening compound: 1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4496
1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}-1-ethanone

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

8017-4496

Molecular Formula

C17H21ClN2O4 (C17 H21 ClN2 O4)

Compound Name

1-{4-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}-1-ethanone

IUPAC name

1-{4-[3-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one

SMILES

CC(c(cc1)cc(OC)c1OCC(Cn1nc(C)c(Cl)c1C)O)=O

InChI

InChI=1S/C17H21ClN2O4/c1-10-17(18)11(2)20(19-10)8-14(22)9-24-15-6-5-13(12(3)21)7-16(15)23-4/h5-7,14,22H,8-9H2,1-4H3/t14-/m0/s1

InChI Key

KGIJLGSBXJSJRO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06016947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

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

1.841

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.78

Polar Surface Area

60.183

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8017-4496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4496?
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What is the minimum amount of 8017-4496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4496
  • 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 8017-4496 available by request