7491-0187 Screening compound: 1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

7491-0187 Screening compound: 1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-5-amine
7491-0187 Screening compound: 1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0187
1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

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

7491-0187

Molecular Formula

C21H25N3 (C21 H25 N3)

Compound Name

1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-5-amine

IUPAC name

1-cyclohexyl-N-[(4-methylphenyl)methyl]-1H-13-benzodiazol-5-amine

SMILES

Cc1ccc(CNc(cc2)cc3c2n(C2CCCCC2)cn3)cc1

InChI

InChI=1S/C21H25N3/c1-16-7-9-17(10-8-16)14-22-18-11-12-21-20(13-18)23-15-24(21)19-5-3-2-4-6-19/h7-13,15,19,22H,2-6,14H2,1H3

InChI Key

TWSLNIMQJKXKHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.67

Polar Surface Area

20.950

Acid Dissociation Constant (pKa)

19.57

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

7491-0187 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7491-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0187?
Check Price and Availability of 7491-0187, 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 7491-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0187
  • 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 7491-0187 available by request