V028-4312 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

V028-4312 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide
V028-4312 Screening compound: 3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4312
3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)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

V028-4312

Molecular Formula

C23H26Cl2N4O2 (C23 H26 Cl2 N4 O2)

Compound Name

3-{2-[(2,6-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

IUPAC name

3-{2-[(26-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

SMILES

O=C(CCn1c(cccc2)c2nc1Cc(c(Cl)ccc1)c1Cl)NCCN1CCOCC1

InChI

InChI=1S/C23H26Cl2N4O2/c24-18-4-3-5-19(25)17(18)16-22-27-20-6-1-2-7-21(20)29(22)10-8-23(30)26-9-11-28-12-14-31-15-13-28/h1-7H,8-16H2,(H,26,30)

InChI Key

STQFAJAOWCVJCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.62

Polar Surface Area

47.054

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V028-4312 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-4312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4312?
Check Price and Availability of V028-4312, 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 V028-4312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4312
  • 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 V028-4312 available by request