8020-0450 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol

8020-0450 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol
8020-0450 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0450
1-(1H-1,3-benzodiazol-2-yl)-3-(3,4-dimethoxyphenyl)-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

8020-0450

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol

IUPAC name

1-(1H-13-benzodiazol-2-yl)-3-(34-dimethoxyphenyl)-1H-pyrazol-5-ol

SMILES

COc(ccc(-c(cc1O)nn1-c1nc(cccc2)c2[nH]1)c1)c1OC

InChI

InChI=1S/C18H16N4O3/c1-24-15-8-7-11(9-16(15)25-2)14-10-17(23)22(21-14)18-19-12-5-3-4-6-13(12)20-18/h3-10,23H,1-2H3,(H,19,20)

InChI Key

HXSYVHNBEVFDLF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

0.446

Water Solubility, LogSw

-2.85

Polar Surface Area

64.012

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8020-0450 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0450?
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What is the minimum amount of 8020-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0450
  • 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 8020-0450 available by request