8010-2100 Screening compound: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)-1-ethanone

8010-2100 Screening compound: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)-1-ethanone
8010-2100 Screening compound: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2100
1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)-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

8010-2100

Molecular Formula

C20H21BrN2O2 (C20 H21 BrN2 O2)

Compound Name

1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)-1-ethanone

IUPAC name

1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-45-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)ethan-1-one

SMILES

CCC(CC1(c(cc2)ccc2Br)O)=NN1C(Cc1ccc(C)cc1)=O

InChI

InChI=1S/C20H21BrN2O2/c1-3-18-13-20(25,16-8-10-17(21)11-9-16)23(22-18)19(24)12-15-6-4-14(2)5-7-15/h4-11,25H,3,12-13H2,1-2H3/t20-/m0/s1

InChI Key

NUUIQKDKEXBZNU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01125108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.37

Polar Surface Area

42.894

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8010-2100 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 8010-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2100?
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What is the minimum amount of 8010-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2100
  • 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 8010-2100 available by request