C301-9872 Screening compound: 4-bromo-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide

C301-9872 Screening compound: 4-bromo-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide
C301-9872 Screening compound: 4-bromo-N-[4-(cyclohex-1-en-1-yl)-1,3-dimethyl-1H-pyrazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9872
4-bromo-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

C301-9872

Molecular Formula

C18H20BrN3O (C18 H20 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(C)c(NC(c(cc2)ccc2Br)=O)c1C1=CCCCC1

InChI

InChI=1S/C18H20BrN3O/c1-12-16(13-6-4-3-5-7-13)17(22(2)21-12)20-18(23)14-8-10-15(19)11-9-14/h6,8-11H,3-5,7H2,1-2H3,(H,20,23)

InChI Key

VYJCQVRLZZJYMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-4.32

Polar Surface Area

37.762

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-9872 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C301-9872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9872?
Check Price and Availability of C301-9872, 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 C301-9872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9872
  • 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 C301-9872 available by request