6900-0314 Screening compound: 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one

6900-0314 Screening compound: 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one
6900-0314 Screening compound: 1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6900-0314
1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one

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

6900-0314

Molecular Formula

C20H21ClN2O3 (C20 H21 ClN2 O3)

Compound Name

1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethan-1-one

IUPAC name

1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-45-dihydro-1H-pyrazol-1-yl]-2-(35-dimethylphenoxy)ethan-1-one

SMILES

CC(CC1(c(cc2)ccc2Cl)O)=NN1C(COc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C20H21ClN2O3/c1-13-8-14(2)10-18(9-13)26-12-19(24)23-20(25,11-15(3)22-23)16-4-6-17(21)7-5-16/h4-10,25H,11-12H2,1-3H3/t20-/m0/s1

InChI Key

YHQFAAFITULQSL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14712224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.37

Polar Surface Area

49.663

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

6900-0314 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6900-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6900-0314?
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What is the minimum amount of 6900-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6900-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6900-0314
  • 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 6900-0314 available by request