D491-9958 Screening compound: 3,5,6-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide

D491-9958 Screening compound: 3,5,6-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide
D491-9958 Screening compound: 3,5,6-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9958
3,5,6-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide

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

D491-9958

Molecular Formula

C23H23N3O2 (C23 H23 N3 O2)

Compound Name

3,5,6-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide

IUPAC name

356-trimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2ccnn2Cc2ccc(C)cc2)=O)oc2c1cc(C)c(C)c2

InChI

InChI=1S/C23H23N3O2/c1-14-5-7-18(8-6-14)13-26-21(9-10-24-26)25-23(27)22-17(4)19-11-15(2)16(3)12-20(19)28-22/h5-12H,13H2,1-4H3,(H,25,27)

InChI Key

NAXSMEASKCVQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.46

Polar Surface Area

46.289

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D491-9958 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-9958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9958?
Check Price and Availability of D491-9958, 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 D491-9958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9958
  • 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 D491-9958 available by request