4246-2199 Screening compound: N-[2-(2,5-dimethylphenyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide

4246-2199 Screening compound: N-[2-(2,5-dimethylphenyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide
4246-2199 Screening compound: N-[2-(2,5-dimethylphenyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4246-2199
N-[2-(2,5-dimethylphenyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide

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

4246-2199

Molecular Formula

C22H25N3O (C22 H25 N3 O)

Compound Name

N-[2-(2,5-dimethylphenyl)-1H-1,3-benzodiazol-5-yl]cyclohexanecarboxamide

IUPAC name

N-[2-(25-dimethylphenyl)-1H-13-benzodiazol-5-yl]cyclohexanecarboxamide

SMILES

Cc1cc(-c2nc(cc(cc3)NC(C4CCCCC4)=O)c3[nH]2)c(C)cc1

InChI

InChI=1S/C22H25N3O/c1-14-8-9-15(2)18(12-14)21-24-19-11-10-17(13-20(19)25-21)23-22(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,26)(H,24,25)

InChI Key

KUVWTWHPKJRGOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-4.94

Polar Surface Area

42.541

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4246-2199 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4246-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4246-2199?
Check Price and Availability of 4246-2199, 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 4246-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4246-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4246-2199
  • 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 4246-2199 available by request