8017-6976 Screening compound: N~1~-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide

8017-6976 Screening compound: N~1~-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
8017-6976 Screening compound: N~1~-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6976
N~1~-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide

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

8017-6976

Molecular Formula

C18H16FN3O (C18 H16 FN3 O)

Compound Name

N~1~-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide

IUPAC name

N-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide

SMILES

Cc1nn(Cc2ccccc2)c(NC(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C18H16FN3O/c1-13-11-17(20-18(23)15-7-9-16(19)10-8-15)22(21-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,23)

InChI Key

YKUKHBAJFNCGGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.182

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.36

Polar Surface Area

37.435

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8017-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6976?
Check Price and Availability of 8017-6976, 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 8017-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6976
  • 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 8017-6976 available by request