V018-1781 Screening compound: 2-(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

V018-1781 Screening compound: 2-(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
V018-1781 Screening compound: 2-(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1781
2-(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

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

V018-1781

Molecular Formula

C29H33N3O3 (C29 H33 N3 O3)

Compound Name

2-(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

2-(2-benzyl-56-dimethyl-1H-13-benzodiazol-1-yl)-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

CC(C(NCCc(cc1)cc(OC)c1OC)=O)n1c(cc(C)c(C)c2)c2nc1Cc1ccccc1

InChI

InChI=1S/C29H33N3O3/c1-19-15-24-25(16-20(19)2)32(28(31-24)18-22-9-7-6-8-10-22)21(3)29(33)30-14-13-23-11-12-26(34-4)27(17-23)35-5/h6-12,15-17,21H,13-14,18H2,1-5H3,(H,30,33)/t21-/m0/s1

InChI Key

VIMYPCCXXVSQJW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19787240

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.61

Polar Surface Area

51.355

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.03

V018-1781 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V018-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1781?
Check Price and Availability of V018-1781, 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 V018-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1781
  • 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 V018-1781 available by request