8018-7897 Screening compound: 1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine

8018-7897 Screening compound: 1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine
8018-7897 Screening compound: 1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7897
1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine

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

8018-7897

Molecular Formula

C17H16BrN3O2 (C17 H16 BrN3 O2)

Compound Name

1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine

IUPAC name

1-(4-bromophenyl)-4-(34-dimethoxyphenyl)-1H-pyrazol-5-amine

SMILES

COc(ccc(-c1c(N)n(-c(cc2)ccc2Br)nc1)c1)c1OC

InChI

InChI=1S/C17H16BrN3O2/c1-22-15-8-3-11(9-16(15)23-2)14-10-20-21(17(14)19)13-6-4-12(18)5-7-13/h3-10H,19H2,1-2H3

InChI Key

QSUMGWSTDXFFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06135873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.25

Polar Surface Area

48.544

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8018-7897 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-7897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7897?
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What is the minimum amount of 8018-7897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7897
  • 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 8018-7897 available by request