7491-0191 Screening compound: 1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-1H-1,3-benzodiazol-5-amine

7491-0191 Screening compound: 1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-1H-1,3-benzodiazol-5-amine
7491-0191 Screening compound: 1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0191
1-cyclohexyl-N-[(3-methoxyphenyl)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

7491-0191

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

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

IUPAC name

1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-1H-13-benzodiazol-5-amine

SMILES

COc1cc(CNc(cc2)cc3c2n(C2CCCCC2)cn3)ccc1

InChI

InChI=1S/C21H25N3O/c1-25-19-9-5-6-16(12-19)14-22-17-10-11-21-20(13-17)23-15-24(21)18-7-3-2-4-8-18/h5-6,9-13,15,18,22H,2-4,7-8,14H2,1H3

InChI Key

FEYRNGBQGFMFNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03783604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.51

Polar Surface Area

28.494

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 7491-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0191?
Check Price and Availability of 7491-0191, 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 7491-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0191
  • 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 7491-0191 available by request