C301-9913 Screening compound: 4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide

C301-9913 Screening compound: 4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide
C301-9913 Screening compound: 4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9913
4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-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

C301-9913

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide

IUPAC name

4-tert-butyl-N-[4-(cyclohex-1-en-1-yl)-13-dimethyl-1H-pyrazol-5-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(n(C)nc1C)c1C1=CCCCC1)=O

InChI

InChI=1S/C22H29N3O/c1-15-19(16-9-7-6-8-10-16)20(25(5)24-15)23-21(26)17-11-13-18(14-12-17)22(2,3)4/h9,11-14H,6-8,10H2,1-5H3,(H,23,26)

InChI Key

LGYYRNRLIBLVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

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

4.938

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.63

Polar Surface Area

37.762

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C301-9913 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C301-9913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9913?
Check Price and Availability of C301-9913, 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 C301-9913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9913
  • 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 C301-9913 available by request