7491-0185 Screening compound: N-(1-cyclohexyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

7491-0185 Screening compound: N-(1-cyclohexyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide
7491-0185 Screening compound: N-(1-cyclohexyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0185
N-(1-cyclohexyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

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

7491-0185

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

N-(1-cyclohexyl-1H-1,3-benzodiazol-5-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(1-cyclohexyl-1H-13-benzodiazol-5-yl)-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)cc3c2n(C2CCCCC2)cn3)=O)cc(OC)c1OC

InChI

InChI=1S/C23H27N3O4/c1-28-20-11-15(12-21(29-2)22(20)30-3)23(27)25-16-9-10-19-18(13-16)24-14-26(19)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,25,27)

InChI Key

PZXQAVRAXWKHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06613528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.31

Polar Surface Area

56.785

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

7491-0185 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7491-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0185?
Check Price and Availability of 7491-0185, 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 7491-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0185
  • 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 7491-0185 available by request