8018-1090 Screening compound: 2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

8018-1090 Screening compound: 2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
8018-1090 Screening compound: 2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1090
2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

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

8018-1090

Molecular Formula

C18H16BrN3O (C18 H16 BrN3 O)

Compound Name

2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

IUPAC name

2-(5-bromo-2-hydroxyphenyl)-2-(3-methyl-5-phenyl-45-dihydro-1H-pyrazol-1-yl)acetonitrile

SMILES

CC(C1)=NN(C(c(cc(cc2)Br)c2O)C#N)C1c1ccccc1

InChI

InChI=1S/C18H16BrN3O/c1-12-9-16(13-5-3-2-4-6-13)22(21-12)17(11-20)15-10-14(19)7-8-18(15)23/h2-8,10,16-17,23H,9H2,1H3

InChI Key

NVEJHJPXAAABST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.01

Polar Surface Area

46.505

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

8018-1090 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1090?
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What is the minimum amount of 8018-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1090
  • 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 8018-1090 available by request