8525-0516 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol

8525-0516 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol
8525-0516 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0516
1-(1H-1,3-benzodiazol-2-yl)-4-butyl-3-methyl-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

8525-0516

Molecular Formula

C15H18N4O (C15 H18 N4 O)

Compound Name

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

IUPAC name

1-(1H-13-benzodiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol

SMILES

CCCCc(c(C)nn1-c2nc(cccc3)c3[nH]2)c1O

InChI

InChI=1S/C15H18N4O/c1-3-4-7-11-10(2)18-19(14(11)20)15-16-12-8-5-6-9-13(12)17-15/h5-6,8-9,20H,3-4,7H2,1-2H3,(H,16,17)

InChI Key

BCIWKHJIHBMKCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08075936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

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

2.987

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-2.84

Polar Surface Area

48.306

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8525-0516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8525-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0516?
Check Price and Availability of 8525-0516, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8525-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0516
  • 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 8525-0516 available by request