C301-9407 Screening compound: N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]butanamide

C301-9407 Screening compound: N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]butanamide
C301-9407 Screening compound: N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9407
N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]butanamide

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

C301-9407

Molecular Formula

C15H23N3O (C15 H23 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(n(C)nc1C)c1C1=CCCCC1)=O

InChI

InChI=1S/C15H23N3O/c1-4-8-13(19)16-15-14(11(2)17-18(15)3)12-9-6-5-7-10-12/h9H,4-8,10H2,1-3H3,(H,16,19)

InChI Key

VSPGFWGMCCETTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.37

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

2.517

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.68

Polar Surface Area

37.820

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C301-9407 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9407?
Check Price and Availability of C301-9407, 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 C301-9407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9407
  • 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 C301-9407 available by request