K783-0016 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-1,3-benzodiazole-5-carboxamide

K783-0016 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-1,3-benzodiazole-5-carboxamide
K783-0016 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-0016
1-[4-(benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-1,3-benzodiazole-5-carboxamide

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

K783-0016

Molecular Formula

C32H31N3O4 (C32 H31 N3 O4)

Compound Name

1-[4-(benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-[4-(benzyloxy)phenyl]-N-[2-(34-dimethoxyphenyl)ethyl]-2-methyl-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1nc(cc(cc2)C(NCCc(cc3)cc(OC)c3OC)=O)c2n1-c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C32H31N3O4/c1-22-34-28-20-25(32(36)33-18-17-23-9-16-30(37-2)31(19-23)38-3)10-15-29(28)35(22)26-11-13-27(14-12-26)39-21-24-7-5-4-6-8-24/h4-16,19-20H,17-18,21H2,1-3H3,(H,33,36)

InChI Key

BRSNTKZCIXFIGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.70

Polar Surface Area

58.431

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K783-0016 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K783-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-0016?
Check Price and Availability of K783-0016, 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 K783-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-0016
  • 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 K783-0016 available by request