V016-8360 Screening compound: N-cyclopropyl-3-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}propanamide

V016-8360 Screening compound: N-cyclopropyl-3-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}propanamide
V016-8360 Screening compound: N-cyclopropyl-3-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8360
N-cyclopropyl-3-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}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

V016-8360

Molecular Formula

C22H23Cl2N3O (C22 H23 Cl2 N3 O)

Compound Name

N-cyclopropyl-3-{2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}propanamide

IUPAC name

N-cyclopropyl-3-{2-[(24-dichlorophenyl)methyl]-56-dimethyl-1H-13-benzodiazol-1-yl}propanamide

SMILES

Cc(c(C)c1)cc2c1nc(Cc(ccc(Cl)c1)c1Cl)n2CCC(NC1CC1)=O

InChI

InChI=1S/C22H23Cl2N3O/c1-13-9-19-20(10-14(13)2)27(8-7-22(28)25-17-5-6-17)21(26-19)11-15-3-4-16(23)12-18(15)24/h3-4,9-10,12,17H,5-8,11H2,1-2H3,(H,25,28)

InChI Key

VCCDMPQARUOFEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.877

Water Solubility, LogSw

-5.94

Polar Surface Area

35.378

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V016-8360 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with V016-8360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8360?
Check Price and Availability of V016-8360, 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 V016-8360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8360
  • 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 V016-8360 available by request