8010-2114 Screening compound: 5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

8010-2114 Screening compound: 5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
8010-2114 Screening compound: 5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2114
5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

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

8010-2114

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-bromophenyl)-1-(4-methoxybenzoyl)-3-methyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(c(cc2)ccc2Br)O)=NN1C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H17BrN2O3/c1-12-11-18(23,14-5-7-15(19)8-6-14)21(20-12)17(22)13-3-9-16(24-2)10-4-13/h3-10,23H,11H2,1-2H3/t18-/m0/s1

InChI Key

CKSGYIUEHFEWLF-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.13

Polar Surface Area

50.235

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8010-2114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2114?
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What is the minimum amount of 8010-2114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2114
  • 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 8010-2114 available by request