8017-0371 Screening compound: 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole

8017-0371 Screening compound: 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole
8017-0371 Screening compound: 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0371
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole

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

8017-0371

Molecular Formula

C18H16BrN5O (C18 H16 BrN5 O)

Compound Name

5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-(2-methyl-4-quinolyl)-1,2,4-oxadiazole

IUPAC name

4-{5-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]-124-oxadiazol-3-yl}-2-methylquinoline

SMILES

Cc(n(Cc1nc(-c2cc(C)nc3ccccc23)no1)nc1C)c1Br

InChI

InChI=1S/C18H16BrN5O/c1-10-8-14(13-6-4-5-7-15(13)20-10)18-21-16(25-23-18)9-24-12(3)17(19)11(2)22-24/h4-8H,9H2,1-3H3

InChI Key

CTHMWQJVFNXCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.66

Polar Surface Area

54.000

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8017-0371 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0371?
Check Price and Availability of 8017-0371, 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 8017-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0371
  • 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 8017-0371 available by request