D491-9683 Screening compound: 4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide

D491-9683 Screening compound: 4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide
D491-9683 Screening compound: 4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9683
4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide

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

D491-9683

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

4-tert-butyl-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1ccnn1Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25N3O2/c1-22(2,3)18-9-7-17(8-10-18)21(26)24-20-13-14-23-25(20)15-16-5-11-19(27-4)12-6-16/h5-14H,15H2,1-4H3,(H,24,26)

InChI Key

YZGZZUOAMWXXDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.44

Polar Surface Area

45.306

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D491-9683 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with D491-9683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9683?
Check Price and Availability of D491-9683, 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 D491-9683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9683
  • 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 D491-9683 available by request