V027-5095 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylpropanamide

V027-5095 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylpropanamide
V027-5095 Screening compound: 3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5095
3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylpropanamide

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

V027-5095

Molecular Formula

C21H23Cl2N3O (C21 H23 Cl2 N3 O)

Compound Name

3-{2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-methyl-N-propylpropanamide

IUPAC name

3-{2-[(24-dichlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-methyl-N-propylpropanamide

SMILES

CCCN(C)C(CCn1c(cccc2)c2nc1Cc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C21H23Cl2N3O/c1-3-11-25(2)21(27)10-12-26-19-7-5-4-6-18(19)24-20(26)13-15-8-9-16(22)14-17(15)23/h4-9,14H,3,10-13H2,1-2H3

InChI Key

KYFSMTVGQXEMKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781603

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.76

Polar Surface Area

26.995

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V027-5095 in Drug Discovery

Included in Screening Libraries

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 V027-5095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5095?
Check Price and Availability of V027-5095, 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 V027-5095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5095
  • 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 V027-5095 available by request